[(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] (2S,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] (2S,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-phenylpentanoic acid [(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] (2S,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phenyl-valeric acid [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C

InChI

InChI=1S/C21H30N2O3/c1-7-15(4)18(17-11-9-8-10-12-17)20(25)26-16(5)19(24)23-21(6,13-22)14(2)3/h8-12,14-16,18H,7H2,1-6H3,(H,23,24)/t15-,16-,18-,21-/m0/s1