2-[[3-(hydroxymethylamino)-3-oxidanylidene-propyl]sulfanylmethyl]propanedioic acid

Systemtic Name: 2-[[3-(hydroxymethylamino)-3-oxidanylidene-propyl]sulfanylmethyl]propanedioic acid Openeye Name: 2-[[3-(hydroxymethylamino)-3-oxo-propyl]sulfanylmethyl]propanedioic acid CAS Name: 2-[[[3-(hydroxymethylamino)-3-oxopropyl]thio]methyl]propanedioic acid IUPAC Name: 2-[[3-(hydroxymethylamino)-3-oxopropyl]sulfanylmethyl]propanedioic acid Traditional Name: 2-[[[3-keto-3-(methylolamino)propyl]thio]methyl]malonic acid Formula: C8H13NO6S MolecularWeight: 251.25692

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Descriptors Computed from Structure

Canonical SMILES:

C(CSCC(C(=O)O)C(=O)O)C(=O)NCO

Isomeric SMILES

C(CSCC(C(=O)O)C(=O)O)C(=O)NCO

InChI

InChI=1S/C8H13NO6S/c10-4-9-6(11)1-2-16-3-5(7(12)13)8(14)15/h5,10H,1-4H2,(H,9,11)(H,12,13)(H,14,15)