methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-[(4-methylphenyl)amino]butanoate

Systemtic Name: methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-[(4-methylphenyl)amino]butanoate Openeye Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methylanilino)butanoate CAS Name: (2R,3S)-3-[[(4-bromophenyl)-oxomethyl]amino]-2-(4-methylanilino)butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methylanilino)butanoate Traditional Name: (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(p-toluidino)butyric acid methyl ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-12-4-10-16(11-5-12)22-17(19(24)25-3)13(2)21-18(23)14-6-8-15(20)9-7-14/h4-11,13,17,22H,1-3H3,(H,21,23)/t13-,17+/m0/s1