(3S)-3-azanyl-5-cyclohexa-1,4-dien-1-yl-5,6,7-tris(oxidanyl)-4-oxidanylidene-heptanoic acid

Systemtic Name: (3S)-3-azanyl-5-cyclohexa-1,4-dien-1-yl-5,6,7-tris(oxidanyl)-4-oxidanylidene-heptanoic acid Openeye Name: (3S)-3-amino-5-cyclohexa-1,4-dien-1-yl-5,6,7-trihydroxy-4-oxo-heptanoic acid CAS Name: (3S)-3-amino-5-(1-cyclohexa-1,4-dienyl)-5,6,7-trihydroxy-4-oxoheptanoic acid IUPAC Name: (3S)-3-amino-5-cyclohexa-1,4-dien-1-yl-5,6,7-trihydroxy-4-oxoheptanoic acid Traditional Name: (3S)-3-amino-5-cyclohexa-1,4-dien-1-yl-5,6,7-trihydroxy-4-keto-enanthic acid Formula: C13H19NO6 MolecularWeight: 285.29306

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)C(C(CO)O)(C(=O)C(CC(=O)O)N)O

Isomeric SMILES

C1C=CCC(=C1)C(C(CO)O)(C(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C13H19NO6/c14-9(6-11(17)18)12(19)13(20,10(16)7-15)8-4-2-1-3-5-8/h1-2,5,9-10,15-16,20H,3-4,6-7,14H2,(H,17,18)/t9-,10?,13?/m0/s1