(4S,5S,6R,7S,8R)-5-acetamido-4-methoxy-6,7,8,9-tetrakis(oxidanyl)-2-oxidanylidene-nonanoic acid

Systemtic Name: (4S,5S,6R,7S,8R)-5-acetamido-4-methoxy-6,7,8,9-tetrakis(oxidanyl)-2-oxidanylidene-nonanoic acid Openeye Name: (4S,5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-methoxy-2-oxo-nonanoic acid CAS Name: (4S,5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-methoxy-2-oxononanoic acid IUPAC Name: (4S,5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-4-methoxy-2-oxononanoic acid Traditional Name: (4S,5S,6R,7S,8R)-5-acetamido-6,7,8,9-tetrahydroxy-2-keto-4-methoxy-pelargonic acid Formula: C12H21NO9 MolecularWeight: 323.29644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO9/c1-5(15)13-9(11(19)10(18)7(17)4-14)8(22-2)3-6(16)12(20)21/h7-11,14,17-19H,3-4H2,1-2H3,(H,13,15)(H,20,21)/t7-,8+,9-,10-,11-/m1/s1