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CHEBI:92277 - (3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-1-oxo-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid

ChEBI IDCHEBI:92277
ChEBI Name(3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-1-oxo-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
Stars
DownloadsMolfile
FormulaC23H27F3N4O5
Net Charge0
Average Mass496.486
Monoisotopic Mass496.19335
SMILESCC(C)(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)CC(=O)O
InChIInChI=1S/C23H27F3N4O5/c1-22(2,3)18(29-19(33)13-6-8-14(9-7-13)23(24,25)26)21(35)30-10-4-5-16(30)20(34)28-15(12-27)11-17(31)32/h6-9,15-16,18H,4-5,10-11H2,1-3H3,(H,28,34)(H,29,33)(H,31,32)/t15-,16-,18+/m0/s1
InChIKeyTYZKBBPMEDTMJM-XYJFISCASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-1-oxo-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid (CHEBI:92277) is a peptide (CHEBI:16670)
Manual XrefsDatabases
LSM-2333LINCS