methyl (2S)-2-[(2-benzamido-4-cyano-butanoyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-benzamido-4-cyano-butanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-benzamido-4-cyano-butanoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-benzamido-4-cyano-1-oxobutyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzamido-4-cyanobutanoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-benzamido-4-cyano-butanoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-29-22(28)19(15-16-9-4-2-5-10-16)25-21(27)18(13-8-14-23)24-20(26)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13,15H2,1H3,(H,24,26)(H,25,27)/t18?,19-/m0/s1