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Properdistatin

CAS 945373-85-3Formula C89H149N33O27S2Molar mass 2,177.51 g/mol
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Properdistatin chemical structure, C89H149N33O27S2, CAS 945373-85-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
945373-85-3
Formula
C89H149N33O27S2
Molar mass
2,177.51 g/mol
HS code
293399
Category
Peptides

What is Properdistatin?

Plain description, key identifiers and synonyms

Properdistatin is a chemical substance with the molecular formula C89H149N33O27S2 and a molar mass of 2,177.51 g/mol. Its CAS registry number is 945373-85-3. The IUPAC name is (4S)-4-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S,3R)-1-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S,3R)-1-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
CAS number
945373-85-3
Molecular formula
C89H149N33O27S2
InChIKey
BFDYBJWURCHKCV-YZBQNZNFSA-N
InChI
InChI=1S/C89H149N33O27S2/c1-42(2)65(118-75(138)57(39-124)114-76(139)58(40-150)115-79(142)61-24-15-33-122(61)84(147)53(25-26-64(130)131)110-73(136)55(34-46-36-104-48-17-7-6-16-47(46)48)112-78(141)60-23-14-32-121(60)63(129)35-91)80(143)120-68(45(5)127)83(146)116-59(41-151)77(140)113-56(38-123)74(137)106-49(18-8-9-27-90)69(132)105-37-62(128)117-66(43(3)125)81(144)109-52(21-12-30-102-88(96)97)72(135)119-67(44(4)126)82(145)108-51(20-11-29-101-87(94)95)70(133)107-50(19-10-28-100-86(92)93)71(134)111-54(85(148)149)22-13-31-103-89(98)99/h6-7,16-17,36,42-45,49-61,65-68,104,123-127,150-151H,8-15,18-35,37-41,90-91H2,1-5H3,(H,105,132)(H,106,137)(H,107,133)(H,108,145)(H,109,144)(H,110,136)(H,111,134)(H,112,141)(H,113,140)(H,114,139)(H,115,142)(H,116,146)(H,117,128)(H,118,138)(H,119,135)(H,120,143)(H,130,131)(H,148,149)(H4,92,93,100)(H4,94,95,101)(H4,96,97,102)(H4,98,99,103)/t43-,44-,45-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,65+,66+,67+,68+/m1/s1
Canonical SMILES
CC(C)C(NC(=O)C(CO)NC(=O)C(CS)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)CN)C(=O)NC(C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O)C(C)O)C(C)O
Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H]4CCCN4C(=O)CN)O

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
2,177.51 g/molcalc.
Exact mass
2,176.0742 Dacalc.
LogP (octanol/water)
-14.19calc.
Topological polar surface area
997.4 Ųcalc.
Hydrogen bond donors
40calc.
Hydrogen bond acceptors
33calc.
Rotatable bonds
68calc.
Heavy atoms
151calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
20calc.
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(NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCCC1)C1CCCN1

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCCC1)C1CCCN1

4 rings, 30 atoms.

No other chemical in our database has 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.

Properdistatin suppliers

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Properdistatin price

Indicative price range per kg from live supplier offers

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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 Properdistatin is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Properdistatin, based on the data on this page

What is Properdistatin?

Properdistatin is a chemical substance with the molecular formula C89H149N33O27S2 and a molar mass of 2,177.51 g/mol. Its CAS registry number is 945373-85-3.

What is the CAS number of Properdistatin?

The CAS registry number of Properdistatin is 945373-85-3.

What is the molecular formula and weight of Properdistatin?

The molecular formula of Properdistatin is C89H149N33O27S2 and its molar mass is 2,177.51 g/mol.

Is Properdistatin hazardous?

No GHS hazard classification for Properdistatin 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 Properdistatin?

Properdistatin is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Properdistatin?

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What is the price of Properdistatin?

Suppliers quote Properdistatin 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

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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