3-azanyl-2,8-dimethyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid

Systemtic Name: 3-azanyl-2,8-dimethyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid Openeye Name: 3-amino-6-(benzyloxycarbonylamino)-4-hydroxy-2,8-dimethyl-5-oxo-nonane-4-sulfonic acid CAS Name: 3-amino-4-hydroxy-2,8-dimethyl-5-oxo-6-(phenylmethoxycarbonylamino)-4-nonanesulfonic acid IUPAC Name: 3-amino-4-hydroxy-2,8-dimethyl-5-oxo-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid Traditional Name: 3-amino-6-(benzyloxycarbonylamino)-4-hydroxy-5-keto-2,8-dimethyl-nonane-4-sulfonic acid Formula: C19H30N2O7S MolecularWeight: 430.5157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O7S/c1-12(2)10-15(21-18(23)28-11-14-8-6-5-7-9-14)17(22)19(24,29(25,26)27)16(20)13(3)4/h5-9,12-13,15-16,24H,10-11,20H2,1-4H3,(H,21,23)(H,25,26,27)