methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(3-phenylpropanoylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(3-phenylpropanoylamino)hexanoate Openeye Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(3-phenylpropanoylamino)hexanoate CAS Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-[(1-oxo-3-phenylpropyl)amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(3-phenylpropanoylamino)hexanoate Traditional Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-(hydrocinnamoylamino)hexanoic acid methyl ester Formula: C28H31BrN2O5S MolecularWeight: 587.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)CCC1=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)CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C28H31BrN2O5S/c1-36-28(33)26(9-5-6-20-30-27(32)19-10-21-7-3-2-4-8-21)31-37(34,35)25-17-13-23(14-18-25)22-11-15-24(29)16-12-22/h2-4,7-8,11-18,26,31H,5-6,9-10,19-20H2,1H3,(H,30,32)/t26-/m0/s1