methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-beta-phenyl-L-phenylalaninate (CHEBI:47922)

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CHEBI:47922 - methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate

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ChEBI ID	CHEBI:47922
ChEBI Name	methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate
Stars
ASCII Name	methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-beta-phenyl-L-phenylalaninate
Definition	A tetrapeptide that is an IAP antagonist.
Last Modified	28 February 2024
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C33H44N4O5
Net Charge	0
Average Mass	576.738
Monoisotopic Mass	576.33117
SMILES	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1
InChI	InChI=1S/C33H44N4O5/c1-22(34-2)30(38)35-28(25-18-11-6-12-19-25)32(40)37-21-13-20-26(37)31(39)36-29(33(41)42-3)27(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-5,7-10,14-17,22,25-29,34H,6,11-13,18-21H2,1-3H3,(H,35,38)(H,36,39)/t22-,26-,28-,29-/m0/s1
InChIKey	UUPZYAHONNHULX-CJBSCAABSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	IAP antagonist An antagonist of the inhibitor of apoptosis proteins. Inhibitors of apoptosis proteins (IAP) are a family of functionally and structurally related proteins that serve as endogenous inhibitors of programmed cell death (apoptosis).

ChEBI Ontology

Outgoing Relation(s)
	methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate (CHEBI:47922) has role IAP antagonist (CHEBI:229692)
	methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate (CHEBI:47922) is a methyl ester (CHEBI:25248)
	methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate (CHEBI:47922) is a tetrapeptide (CHEBI:48030)
Incoming Relation(s)
	N,N'-(hexane-1,6-diyl)bis(1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninamide) (CHEBI:47924) has functional parent methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate (CHEBI:47922)

IUPAC Name
methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate

Synonyms	Source
MV 1	ChEBI
MV-1	ChEBI
MV1	ChEBI

Registry Numbers	Sources
CAS:1001600-54-9	ChEBI

Citations