3-[1-[2-(2-oxidanylbutylamino)ethylamino]-1-oxidanylidene-3-sulfo-propan-2-yl]pentanedioic acid

Systemtic Name: 3-[1-[2-(2-oxidanylbutylamino)ethylamino]-1-oxidanylidene-3-sulfo-propan-2-yl]pentanedioic acid Openeye Name: 3-[2-[2-(2-hydroxybutylamino)ethylamino]-2-oxo-1-(sulfomethyl)ethyl]pentanedioic acid CAS Name: 3-[1-[2-(2-hydroxybutylamino)ethylamino]-1-oxo-3-sulfopropan-2-yl]pentanedioic acid IUPAC Name: 3-[1-[2-(2-hydroxybutylamino)ethylamino]-1-oxo-3-sulfopropan-2-yl]pentanedioic acid Traditional Name: 3-[2-[2-(2-hydroxybutylamino)ethylamino]-2-keto-1-(sulfomethyl)ethyl]glutaric acid Formula: C14H26N2O9S MolecularWeight: 398.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCNC(=O)C(CS(=O)(=O)O)C(CC(=O)O)CC(=O)O)O

Isomeric SMILES

CCC(CNCCNC(=O)C(CS(=O)(=O)O)C(CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C14H26N2O9S/c1-2-10(17)7-15-3-4-16-14(22)11(8-26(23,24)25)9(5-12(18)19)6-13(20)21/h9-11,15,17H,2-8H2,1H3,(H,16,22)(H,18,19)(H,20,21)(H,23,24,25)