methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-[(4-methoxyphenyl)amino]-5-methyl-hexanoate

Systemtic Name: methyl (2R,3S)-3-[(4-bromophenyl)carbonylamino]-2-[(4-methoxyphenyl)amino]-5-methyl-hexanoate Openeye Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methoxyanilino)-5-methyl-hexanoate CAS Name: (2R,3S)-3-[[(4-bromophenyl)-oxomethyl]amino]-2-(4-methoxyanilino)-5-methylhexanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[(4-bromobenzoyl)amino]-2-(4-methoxyanilino)-5-methylhexanoate Traditional Name: (2R,3S)-3-[(4-bromobenzoyl)amino]-5-methyl-2-(p-anisidino)hexanoic acid methyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C22H27BrN2O4/c1-14(2)13-19(25-21(26)15-5-7-16(23)8-6-15)20(22(27)29-4)24-17-9-11-18(28-3)12-10-17/h5-12,14,19-20,24H,13H2,1-4H3,(H,25,26)/t19-,20+/m0/s1