2-[azanyl-(1-azanyl-2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-methyl]propanedioic acid

Systemtic Name: 2-[azanyl-(1-azanyl-2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-methyl]propanedioic acid Openeye Name: 2-[amino-(1-amino-2-carboxy-3-hydroxy-3-oxo-propyl)sulfanyl-methyl]propanedioic acid CAS Name: 2-[amino-[(1-amino-2-carboxy-3-hydroxy-3-oxopropyl)thio]methyl]propanedioic acid IUPAC Name: 2-[amino-(1-amino-2-carboxy-3-hydroxy-3-oxopropyl)sulfanylmethyl]propanedioic acid Traditional Name: 2-[amino-[(1-amino-2-carboxy-3-hydroxy-3-keto-propyl)thio]methyl]malonic acid Formula: C8H12N2O8S MolecularWeight: 296.25448

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Descriptors Computed from Structure

Canonical SMILES:

C(C(N)SC(C(C(=O)O)C(=O)O)N)(C(=O)O)C(=O)O

Isomeric SMILES

C(C(N)SC(C(C(=O)O)C(=O)O)N)(C(=O)O)C(=O)O

InChI

InChI=1S/C8H12N2O8S/c9-3(1(5(11)12)6(13)14)19-4(10)2(7(15)16)8(17)18/h1-4H,9-10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)