4-azanyl-2,9-dimethyl-5-oxidanyl-6-oxidanylidene-7-(phenylmethoxycarbonylamino)decane-5-sulfonic acid

Systemtic Name: 4-azanyl-2,9-dimethyl-5-oxidanyl-6-oxidanylidene-7-(phenylmethoxycarbonylamino)decane-5-sulfonic acid Openeye Name: 4-amino-7-(benzyloxycarbonylamino)-5-hydroxy-2,9-dimethyl-6-oxo-decane-5-sulfonic acid CAS Name: 4-amino-5-hydroxy-2,9-dimethyl-6-oxo-7-(phenylmethoxycarbonylamino)-5-decanesulfonic acid IUPAC Name: 4-amino-5-hydroxy-2,9-dimethyl-6-oxo-7-(phenylmethoxycarbonylamino)decane-5-sulfonic acid Traditional Name: 4-amino-7-(benzyloxycarbonylamino)-5-hydroxy-6-keto-2,9-dimethyl-decane-5-sulfonic acid Formula: C20H32N2O7S MolecularWeight: 444.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)C(C(CC(C)C)N)(O)S(=O)(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H32N2O7S/c1-13(2)10-16(22-19(24)29-12-15-8-6-5-7-9-15)18(23)20(25,30(26,27)28)17(21)11-14(3)4/h5-9,13-14,16-17,25H,10-12,21H2,1-4H3,(H,22,24)(H,26,27,28)