methyl 4-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoate CAS Name: 4-[[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]amino]benzoic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-13(2)18(23-19(24)17-8-6-5-7-14(17)3)20(25)22-16-11-9-15(10-12-16)21(26)27-4/h5-13,18H,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1