(4S,5R,6R,7S,8R)-7,9-diacetyloxy-8-methoxy-4,6-bis(oxidanyl)-5-(2-oxidanylethanoylamino)-2-oxidanylidene-nonanoic acid

Systemtic Name: (4S,5R,6R,7S,8R)-7,9-diacetyloxy-8-methoxy-4,6-bis(oxidanyl)-5-(2-oxidanylethanoylamino)-2-oxidanylidene-nonanoic acid Openeye Name: (4S,5R,6R,7S,8R)-7,9-diacetoxy-4,6-dihydroxy-5-[(2-hydroxyacetyl)amino]-8-methoxy-2-oxo-nonanoic acid CAS Name: (4S,5R,6R,7S,8R)-7,9-diacetyloxy-4,6-dihydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-8-methoxy-2-oxononanoic acid IUPAC Name: (4S,5R,6R,7S,8R)-7,9-diacetyloxy-4,6-dihydroxy-5-[(2-hydroxyacetyl)amino]-8-methoxy-2-oxononanoic acid Traditional Name: (4S,5R,6R,7S,8R)-7,9-diacetoxy-5-(glycoloylamino)-4,6-dihydroxy-2-keto-8-methoxy-pelargonic acid Formula: C16H25NO12 MolecularWeight: 423.3692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C(CC(=O)C(=O)O)O)NC(=O)CO)O)OC(=O)C)OC

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@@H]([C@@H]([C@H](CC(=O)C(=O)O)O)NC(=O)CO)O)OC(=O)C)OC

InChI

InChI=1S/C16H25NO12/c1-7(19)28-6-11(27-3)15(29-8(2)20)14(24)13(17-12(23)5-18)9(21)4-10(22)16(25)26/h9,11,13-15,18,21,24H,4-6H2,1-3H3,(H,17,23)(H,25,26)/t9-,11+,13+,14+,15+/m0/s1