methyl (2S)-2-[[4-(2-methylpropanoylamino)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(2-methylpropanoylamino)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(isobutyrylamino)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-14(2)19(24)22-17-11-9-16(10-12-17)20(25)23-18(21(26)27-3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1