(phenylmethyl) (2S)-2-[[(2S,4R)-1-cyano-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S,4R)-1-cyano-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S,4R)-1-cyano-4-hydroxy-pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(2S,4R)-1-cyano-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S,4R)-1-cyano-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,4R)-1-cyano-4-hydroxy-prolyl]amino]-4-methyl-valeric acid benzyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CC(CN2C#N)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C#N)O

InChI

InChI=1S/C19H25N3O4/c1-13(2)8-16(19(25)26-11-14-6-4-3-5-7-14)21-18(24)17-9-15(23)10-22(17)12-20/h3-7,13,15-17,23H,8-11H2,1-2H3,(H,21,24)/t15-,16+,17+/m1/s1