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

Systemtic Name: methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-[(4-methoxyphenyl)amino]-4-phenyl-butanoate Openeye Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methoxyanilino)-4-phenyl-butanoate CAS Name: (2R,3S)-3-[[(4-bromophenyl)-oxomethyl]amino]-2-(4-methoxyanilino)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methoxyanilino)-4-phenylbutanoate Traditional Name: (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(p-anisidino)-4-phenyl-butyric acid methyl ester Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C25H25BrN2O4/c1-31-21-14-12-20(13-15-21)27-23(25(30)32-2)22(16-17-6-4-3-5-7-17)28-24(29)18-8-10-19(26)11-9-18/h3-15,22-23,27H,16H2,1-2H3,(H,28,29)/t22-,23+/m0/s1