3-azanyl-8-methyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid

Systemtic Name: 3-azanyl-8-methyl-4-oxidanyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid Openeye Name: 3-amino-6-(benzyloxycarbonylamino)-4-hydroxy-8-methyl-5-oxo-nonane-4-sulfonic acid CAS Name: 3-amino-4-hydroxy-8-methyl-5-oxo-6-(phenylmethoxycarbonylamino)-4-nonanesulfonic acid IUPAC Name: 3-amino-4-hydroxy-8-methyl-5-oxo-6-(phenylmethoxycarbonylamino)nonane-4-sulfonic acid Traditional Name: 3-amino-6-(benzyloxycarbonylamino)-4-hydroxy-5-keto-8-methyl-nonane-4-sulfonic acid Formula: C18H28N2O7S MolecularWeight: 416.48912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O7S/c1-4-15(19)18(23,28(24,25)26)16(21)14(10-12(2)3)20-17(22)27-11-13-8-6-5-7-9-13/h5-9,12,14-15,23H,4,10-11,19H2,1-3H3,(H,20,22)(H,24,25,26)