methyl (2S)-2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[(3-methylphenyl)carbonylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[(3-methylbenzoyl)amino]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(3-methylbenzoyl)amino]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(m-toluoylamino)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-15-7-6-10-17(13-15)20(25)22-12-11-19(24)23-18(21(26)27-2)14-16-8-4-3-5-9-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,25)(H,23,24)/t18-/m0/s1