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Orb1296771

Also known as Peptide YY Fragment 3-36 human, Peptide YY (3-36) trifluoroacetate salt

CAS 126339-09-1Formula C176H272N52O54Molar mass 3,980.42 g/mol
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Orb1296771 chemical structure, C176H272N52O54, CAS 126339-09-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126339-09-1
Formula
C176H272N52O54
Molar mass
3,980.42 g/mol
HS code
293329
Category
Peptides

What is Orb1296771?

Plain description, key identifiers and synonyms

Orb1296771 is a chemical substance with the molecular formula C176H272N52O54 and a molar mass of 3,980.42 g/mol. Its CAS registry number is 126339-09-1. The IUPAC name is (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopenta

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n-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-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-....

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-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-...
CAS number
126339-09-1
Molecular formula
C176H272N52O54
InChIKey
AIYOBVCUSVSXOL-NYGOYQSZSA-N
InChI
InChI=1S/C176H272N52O54/c1-84(2)67-114(155(265)202-104(27-19-61-192-174(184)185)148(258)218-121(75-98-78-190-83-196-98)160(270)217-120(74-97-39-47-102(236)48-40-97)158(268)212-115(68-85(3)4)156(266)219-122(76-131(180)238)161(271)213-117(70-87(7)8)162(272)224-138(88(9)10)168(278)225-139(93(15)232)169(279)208-106(29-21-63-194-176(188)189)145(255)204-108(49-54-130(179)237)150(260)201-103(26-18-60-191-173(182)183)146(256)210-113(140(181)250)71-94-33-41-99(233)42-34-94)214-164(274)124(80-229)221-142(252)90(12)197-153(263)118(72-95-35-43-100(234)44-36-95)216-159(269)119(73-96-37-45-101(235)46-38-96)215-147(257)105(28-20-62-193-175(186)187)203-163(273)125(81-230)222-157(267)116(69-86(5)6)211-152(262)110(52-57-135(244)245)205-151(261)111(53-58-136(246)247)207-167(277)129-32-24-66-228(129)172(282)126(82-231)223-143(253)91(13)198-154(264)123(77-137(248)249)220-149(259)107(50-55-133(240)241)200-132(239)79-195-165(275)127-30-22-64-226(127)170(280)92(14)199-144(254)109(51-56-134(242)243)206-166(276)128-31-23-65-227(128)171(281)112(25-16-17-59-177)209-141(251)89(11)178/h33-48,78,83-93,103-129,138-139,229-236H,16-32,49-77,79-82,177-178H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,250)(H,190,196)(H,195,275)(H,197,263)(H,198,264)(H,199,254)(H,200,239)(H,201,260)(H,202,265)(H,203,273)(H,204,255)(H,205,261)(H,206,276)(H,207,277)(H,208,279)(H,209,251)(H,210,256)(H,211,262)(H,212,268)(H,213,271)(H,214,274)(H,215,257)(H,216,269)(H,217,270)(H,218,258)(H,219,266)(H,220,259)(H,221,252)(H,222,267)(H,223,253)(H,224,272)(H,225,278)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,138-,139-/m0/s1
Canonical SMILES
CC(C)CC(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)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(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(C)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)C(C)O)C(C)C
Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)O

Synonyms

  • Peptide YY Fragment 3-36 human
  • Peptide YY (3-36) trifluoroacetate salt

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
3,980.42 g/molcalc.
Exact mass
3,978.0136 Dacalc.
LogP (octanol/water)
-17.76calc.
Topological polar surface area
1,740 Ųcalc.
Hydrogen bond donors
61calc.
Hydrogen bond acceptors
56calc.
Rotatable bonds
126calc.
Heavy atoms
282calc.
Rings
8calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
34calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

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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 Orb1296771 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 Orb1296771 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1296771, based on the data on this page

What is Orb1296771?

Orb1296771 is a chemical substance with the molecular formula C176H272N52O54 and a molar mass of 3,980.42 g/mol. Its CAS registry number is 126339-09-1.

What is the CAS number of Orb1296771?

The CAS registry number of Orb1296771 is 126339-09-1.

What is the molecular formula and weight of Orb1296771?

The molecular formula of Orb1296771 is C176H272N52O54 and its molar mass is 3,980.42 g/mol.

Is Orb1296771 hazardous?

No GHS hazard classification for Orb1296771 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 Orb1296771?

Orb1296771 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 Orb1296771?

CompoundList lists 1 supplier of Orb1296771 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1296771?

Suppliers quote Orb1296771 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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