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

Systemtic Name: methyl (2S)-2-[3-[(2-methylphenyl)carbonylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(o-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=C1C(=O)NCCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

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