CHEBI:93286 - (3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid

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ChEBI Name (3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid ChEBI ID CHEBI:93286 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H30N4O5 Net Charge 0 Average Mass 442.509 Monoisotopic Mass 442.22162 InChI InChI=1S/C23H30N4O5/c1-14-8-5-6-9-16(14)20(30)26-19(23(2,3)4)22(32)27-11-7-10-17(27)21(31)25-15(13-24)12-18(28)29/h5-6,8-9,15,17,19H,7,10-12H2,1-4H3,(H,25,31)(H,26,30)(H,28,29)/t15-,17-,19+/m0/s1 InChIKey XDVYQRKWCDXRJA-VDZJLULYSA-N SMILES CC1=CC=CC=C1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C#N)C(C)(C)C Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid (CHEBI:93286) is a peptide (CHEBI:16670) Manual Xref Database LSM-3637 LINCS View more database links