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

Systemtic Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-6-(benzyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoate CAS Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid methyl ester Formula: C27H29BrN2O6S MolecularWeight: 589.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H29BrN2O6S/c1-35-26(31)25(9-5-6-18-29-27(32)36-19-20-7-3-2-4-8-20)30-37(33,34)24-16-12-22(13-17-24)21-10-14-23(28)15-11-21/h2-4,7-8,10-17,25,30H,5-6,9,18-19H2,1H3,(H,29,32)/t25-/m0/s1