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 Name methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-β-phenyl-L-phenylalaninate
ChEBI ID CHEBI:47922
ChEBI ASCII Name methyl 1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-L-prolyl-beta-phenyl-L-phenylalaninate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H44N4O5
Net Charge 0
Average Mass 576.72642
Monoisotopic Mass 576.331
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
SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 tripeptide (CHEBI:47923)
Incoming 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
Synonym Source
MV1
Note: (2007-12-17) See: Varfolomeev, E. et al. (2007) IAP antagonists induce autoubiquitination of c-IAPs, NF-κB activation, and TNFα-dependent apoptosis. Cell 131, 669-681. [PMID:18022362]
ChEBI
Last Modified
13 April 2015