2-azanyl-1-cyclohexyl-7-methyl-3-oxidanyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octane-1-sulfonic acid

Systemtic Name: 2-azanyl-1-cyclohexyl-7-methyl-3-oxidanyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octane-1-sulfonic acid Openeye Name: 2-amino-5-(benzyloxycarbonylamino)-1-cyclohexyl-3-hydroxy-7-methyl-4-oxo-octane-1-sulfonic acid CAS Name: 2-amino-1-cyclohexyl-3-hydroxy-7-methyl-4-oxo-5-(phenylmethoxycarbonylamino)-1-octanesulfonic acid IUPAC Name: 2-amino-1-cyclohexyl-3-hydroxy-7-methyl-4-oxo-5-(phenylmethoxycarbonylamino)octane-1-sulfonic acid Traditional Name: 2-amino-5-(benzyloxycarbonylamino)-1-cyclohexyl-3-hydroxy-4-keto-7-methyl-octane-1-sulfonic acid Formula: C23H36N2O7S MolecularWeight: 484.60614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(C(C1CCCCC1)S(=O)(=O)O)N)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)C(C(C(C1CCCCC1)S(=O)(=O)O)N)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H36N2O7S/c1-15(2)13-18(25-23(28)32-14-16-9-5-3-6-10-16)20(26)21(27)19(24)22(33(29,30)31)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-19,21-22,27H,4,7-8,11-14,24H2,1-2H3,(H,25,28)(H,29,30,31)