(2S,6S,7R)-2-azanyl-6,7,9-tris(oxidanyl)-8-oxidanylidene-2-sulfanyl-nonanoic acid

Systemtic Name: (2S,6S,7R)-2-azanyl-6,7,9-tris(oxidanyl)-8-oxidanylidene-2-sulfanyl-nonanoic acid Openeye Name: (2S,6S,7R)-2-amino-6,7,9-trihydroxy-8-oxo-2-sulfanyl-nonanoic acid CAS Name: (2S,6S,7R)-2-amino-6,7,9-trihydroxy-2-mercapto-8-oxononanoic acid IUPAC Name: (2S,6S,7R)-2-amino-6,7,9-trihydroxy-8-oxo-2-sulfanylnonanoic acid Traditional Name: (2S,6S,7R)-2-amino-6,7,9-trihydroxy-8-keto-2-mercapto-pelargonic acid Formula: C9H17NO6S MolecularWeight: 267.29938

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(C(=O)CO)O)O)CC(C(=O)O)(N)S

Isomeric SMILES

C(C[C@@H]([C@H](C(=O)CO)O)O)C[C@](C(=O)O)(N)S

InChI

InChI=1S/C9H17NO6S/c10-9(17,8(15)16)3-1-2-5(12)7(14)6(13)4-11/h5,7,11-12,14,17H,1-4,10H2,(H,15,16)/t5-,7+,9-/m0/s1