6-(1-adamantylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-(1-adamantylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Openeye Name: 6-(1-adamantylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[[[(1-adamantylthio)amino]-oxomethyl]amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-(1-adamantylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[(1-adamantylthio)carbamoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C29H35N3O6S2 MolecularWeight: 585.7347

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SNC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SNC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C4=CC5=C(C=C4)OC6=CC=CC=C65

InChI

InChI=1S/C29H35N3O6S2/c33-27(34)24(32-40(36,37)21-8-9-26-23(14-21)22-5-1-2-7-25(22)38-26)6-3-4-10-30-28(35)31-39-29-15-18-11-19(16-29)13-20(12-18)17-29/h1-2,5,7-9,14,18-20,24,32H,3-4,6,10-13,15-17H2,(H,33,34)(H2,30,31,35)