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

Systemtic Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoate CAS Name: 4-methyl-3-[[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]amino]benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H26N2O4/c1-13(2)19(24-20(25)17-9-7-6-8-14(17)3)21(26)23-18-12-16(22(27)28-5)11-10-15(18)4/h6-13,19H,1-5H3,(H,23,26)(H,24,25)/t19-/m0/s1