methyl (2S)-6-[(4-bromophenyl)amino]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-6-[(4-bromophenyl)amino]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-6-(4-bromoanilino)hexanoate CAS Name: (2S)-6-(4-bromoanilino)-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-(4-bromoanilino)-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-(4-bromoanilino)hexanoic acid methyl ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCCCNC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25BrN2O4/c1-27-20(25)19(24-21(26)28-15-16-7-3-2-4-8-16)9-5-6-14-23-18-12-10-17(22)11-13-18/h2-4,7-8,10-13,19,23H,5-6,9,14-15H2,1H3,(H,24,26)/t19-/m0/s1