6-(1-adamantyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid

Systemtic Name: 6-(1-adamantyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid Openeye Name: 6-(1-adamantyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid CAS Name: 6-[[1-adamantyloxy(oxo)methyl]amino]-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid IUPAC Name: 6-(1-adamantyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid Traditional Name: 6-(1-adamantyloxycarbonylamino)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid Formula: C29H35BrN2O6S MolecularWeight: 619.567

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H35BrN2O6S/c30-24-8-4-22(5-9-24)23-6-10-25(11-7-23)39(36,37)32-26(27(33)34)3-1-2-12-31-28(35)38-29-16-19-13-20(17-29)15-21(14-19)18-29/h4-11,19-21,26,32H,1-3,12-18H2,(H,31,35)(H,33,34)