methyl (2S)-2-[[(2R)-5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-5-cyano-4-oxidanylidene-2-(phenylmethyl)pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-benzyl-5-cyano-4-oxo-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-5-cyano-1,4-dioxo-2-(phenylmethyl)pentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-benzyl-5-cyano-4-oxopentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-benzyl-5-cyano-4-keto-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CC(=O)CC#N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)CC(=O)CC#N

InChI

InChI=1S/C23H24N2O4/c1-29-23(28)21(15-18-10-6-3-7-11-18)25-22(27)19(16-20(26)12-13-24)14-17-8-4-2-5-9-17/h2-11,19,21H,12,14-16H2,1H3,(H,25,27)/t19-,21+/m1/s1