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CHEBI:93165 - (3S)-3-[[[(2S)-1-[(2S)-2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid

ChEBI IDCHEBI:93165
ChEBI Name(3S)-3-[[[(2S)-1-[(2S)-2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid
Stars
DownloadsMolfile
FormulaC23H29ClN4O6
Net Charge0
Average Mass492.960
Monoisotopic Mass492.17756
SMILESCOc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C#N)CC(=O)O)C(C)(C)C)cc1Cl
InChIInChI=1S/C23H29ClN4O6/c1-23(2,3)19(27-20(31)13-7-8-17(34-4)15(24)10-13)22(33)28-9-5-6-16(28)21(32)26-14(12-25)11-18(29)30/h7-8,10,14,16,19H,5-6,9,11H2,1-4H3,(H,26,32)(H,27,31)(H,29,30)/t14-,16-,19+/m0/s1
InChIKeyZTFQTNQZXWLZHY-URLQWDBASA-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-[[[(2S)-1-[(2S)-2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-cyanopropanoic acid (CHEBI:93165) is a peptide (CHEBI:16670)
Manual XrefsDatabases
LSM-3482LINCS