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Josef Reischig · CC BY 3.0

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BPC-157


Identity

FieldValue
IUPAC name(4S)-4-[(2-aminoacetyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C(CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CN
InChIInChI=1S/C62H98N16O22/c1-31(2)25-37(55(92)74-50(32(3)4)62(99)100)71-46(81)29-65-51(88)33(5)67-53(90)38(26-48(84)85)73-54(91)39(27-49(86)87)72-52(89)34(6)68-57(94)41-15-10-21-75(41)58(95)35(13-7-8-20-63)70-45(80)30-66-56(93)40-14-9-22-76(40)60(97)43-17-12-24-78(43)61(98)42-16-11-23-77(42)59(96)36(18-19-47(82)83)69-44(79)28-64/h31-43,50H,7-30,63-64H2,1-6H3,(H,65,88)(H,66,93)(H,67,90)(H,68,94)(H,69,79)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,92)(H,82,83)(H,84,85)(H,86,87)(H,99,100)/t33-,34-,35?,36-,37-,38-,39-,40-,41-,42-,43-,50-/m0/s1
InChIKeyHEEWEZGQMLZMFE-DGQLYNSISA-N

Chemistry

FieldValue
Compound classPentadecapeptide (15 aa)
FormulaC₆₂H₉₈N₁₆O₂₂
Molecular weight1419.56
CAS137525-51-0
PubChemPubChem CID 108101 (opens in a new tab)

2D structure

3D structure

Computed conformer: one plausible shape of a flexible molecule, not a measured structure · RDKit

Additional properties

Computed
PropertyValue
Exact mass1418.70415882 Da
Monoisotopic mass1418.70415882 Da
XLogP3-9
Topological polar surface area573 Ų
Hydrogen bond donors16
Hydrogen bond acceptors24
Rotatable bonds39
Heavy atoms100

Sources

Data sources
SourceKindRetrieved
Computed conformer (RDKit ETKDGv3 + MMFF94)
Internal
Oct 12, 2026
PubChem
Oct 12, 2026

Products containing this compound

Listed products
ProductMilligrams
entire fill
10 mg
10 mg

Josef Reischig · CC BY 3.0

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BPC-157 | True Adam