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

Systemtic Name: methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-[(4-methoxyphenyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methoxyanilino)-4-methyl-pentanoate CAS Name: (2R,3S)-3-[[(4-bromophenyl)-oxomethyl]amino]-2-(4-methoxyanilino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methoxyanilino)-4-methylpentanoate Traditional Name: (2R,3S)-3-[(4-bromobenzoyl)amino]-4-methyl-2-(p-anisidino)valeric acid methyl ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)OC)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H]([C@H](C(=O)OC)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O4/c1-13(2)18(24-20(25)14-5-7-15(22)8-6-14)19(21(26)28-4)23-16-9-11-17(27-3)12-10-16/h5-13,18-19,23H,1-4H3,(H,24,25)/t18-,19+/m0/s1