methyl (2S)-2-(3-benzamidobutanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(3-benzamidobutanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(3-benzamidobutanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[(3-benzamido-1-oxobutyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-benzamidobutanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(3-benzamidobutanoylamino)-3-phenyl-propionic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-15(22-20(25)17-11-7-4-8-12-17)13-19(24)23-18(21(26)27-2)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,22,25)(H,23,24)/t15?,18-/m0/s1