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

Systemtic Name: [(2S)-1-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl] (3R)-3-benzamido-3-phenyl-propanoate Openeye Name: [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-1-methyl-2-oxo-ethyl] (3R)-3-benzamido-3-phenyl-propanoate CAS Name: (3R)-3-benzamido-3-phenylpropanoic 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] (3R)-3-benzamido-3-phenylpropanoate Traditional Name: (3R)-3-benzamido-3-phenyl-propionic acid [(1S)-2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)OC(=O)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H29N3O4/c1-17(2)25(4,16-26)28-23(30)18(3)32-22(29)15-21(19-11-7-5-8-12-19)27-24(31)20-13-9-6-10-14-20/h5-14,17-18,21H,15H2,1-4H3,(H,27,31)(H,28,30)/t18-,21+,25-/m0/s1