CompoundList
Sign in
Peptides

Vasectrin I

Also known as 4-Ala-secretin, Secretin, ala(4)-, Secretin, alanine(4)-

CAS 64610-22-6Formula C131H222N44O41Molar mass 3,069.48 g/mol
Get quotes Safety data
Vasectrin I chemical structure, C131H222N44O41, CAS 64610-22-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64610-22-6
Formula
C131H222N44O41
Molar mass
3,069.48 g/mol
HS code
293329
Category
Peptides

What is Vasectrin I?

Plain description, key identifiers and synonyms

Vasectrin I is a chemical substance with the molecular formula C131H222N44O41 and a molar mass of 3,069.48 g/mol. Its CAS registry number is 64610-22-6. The IUPAC name is (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-

Read more

oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-....

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-...
CAS number
64610-22-6
Molecular formula
C131H222N44O41
InChIKey
FVUJPXXDENYILK-WITUOYQCSA-N
InChI
InChI=1S/C131H222N44O41/c1-59(2)42-80(120(209)173-99(65(13)14)102(135)191)153-95(184)53-149-106(195)77(32-35-93(133)182)158-115(204)83(45-62(7)8)165-117(206)84(46-63(9)10)163-108(197)74(29-23-39-146-129(138)139)155-111(200)78(33-36-94(134)183)159-116(205)82(44-61(5)6)161-107(196)73(28-22-38-145-128(136)137)154-103(192)66(15)152-122(211)89(54-176)170-119(208)88(51-98(189)190)166-110(199)75(30-24-40-147-130(140)141)156-114(203)81(43-60(3)4)162-109(198)76(31-25-41-148-131(142)143)157-123(212)91(56-178)171-118(207)85(47-64(11)12)164-112(201)79(34-37-96(185)186)160-124(213)92(57-179)172-127(216)101(69(18)181)175-121(210)86(48-70-26-20-19-21-27-70)168-126(215)100(68(17)180)174-104(193)67(16)151-113(202)87(50-97(187)188)167-125(214)90(55-177)169-105(194)72(132)49-71-52-144-58-150-71/h19-21,26-27,52,58-69,72-92,99-101,176-181H,22-25,28-51,53-57,132H2,1-18H3,(H2,133,182)(H2,134,183)(H2,135,191)(H,144,150)(H,149,195)(H,151,202)(H,152,211)(H,153,184)(H,154,192)(H,155,200)(H,156,203)(H,157,212)(H,158,204)(H,159,205)(H,160,213)(H,161,196)(H,162,198)(H,163,197)(H,164,201)(H,165,206)(H,166,199)(H,167,214)(H,168,215)(H,169,194)(H,170,208)(H,171,207)(H,172,216)(H,173,209)(H,174,193)(H,175,210)(H,185,186)(H,187,188)(H,189,190)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)/t66-,67-,68+,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-/m0/s1
Canonical SMILES
CC(C)CC(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)O)C(=O)NC(C(N)=O)C(C)C
Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)N)O

Synonyms

  • 4-Ala-secretin
  • Secretin, ala(4)-
  • Secretin, alanine(4)-
  • Secretin, 4-L-alanine-
  • VS I
  • Secretin (pig), 4-L-alanine-
  • Secretin (swine), 4-L-alanine-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
3,069.48 g/molcalc.
Exact mass
3,067.6639 Dacalc.
LogP (octanol/water)
-17.65calc.
Topological polar surface area
1,421 Ųcalc.
Hydrogen bond donors
52calc.
Hydrogen bond acceptors
44calc.
Rotatable bonds
105calc.
Heavy atoms
216calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.66calc.
Formal charge
0calc.
Stereocentres
28calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCc1cnc[nH]1)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1ccccc1

O=C(CCc1cnc[nH]1)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCc1ccccc1

2 rings, 34 atoms.

29 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vasectrin I suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Vasectrin I can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Vasectrin I price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vasectrin I is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Vasectrin I is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vasectrin I, based on the data on this page

What is Vasectrin I?

Vasectrin I is a chemical substance with the molecular formula C131H222N44O41 and a molar mass of 3,069.48 g/mol. Its CAS registry number is 64610-22-6.

What is the CAS number of Vasectrin I?

The CAS registry number of Vasectrin I is 64610-22-6.

What is the molecular formula and weight of Vasectrin I?

The molecular formula of Vasectrin I is C131H222N44O41 and its molar mass is 3,069.48 g/mol.

Is Vasectrin I hazardous?

No GHS hazard classification for Vasectrin I is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vasectrin I?

Vasectrin I is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vasectrin I?

Post a free request on CompoundList and suppliers of Vasectrin I will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Vasectrin I?

Suppliers quote Vasectrin I on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Vasectrin I

Get quotes for Vasectrin I

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Vasectrin I
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Vasectrin I with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/vasectrin-i-64610-22-6" title="Vasectrin I structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Peptides or HS code 293329

Price on request
Free quotes, contact stays private
Get quotes