2-[bis(carboxymethyl)amino]-4-[2-(2-oxidanylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-butanoic acid

Systemtic Name: 2-[bis(carboxymethyl)amino]-4-[2-(2-oxidanylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-butanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-4-[2-(2-hydroxybutylamino)-2-oxo-ethyl]sulfanyl-butanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-4-[[2-(2-hydroxybutylamino)-2-oxoethyl]thio]butanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-4-[2-(2-hydroxybutylamino)-2-oxoethyl]sulfanylbutanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-4-[[2-(2-hydroxybutylamino)-2-keto-ethyl]thio]butyric acid Formula: C14H24N2O8S MolecularWeight: 380.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSCCC(C(=O)O)N(CC(=O)O)CC(=O)O)O

Isomeric SMILES

CCC(CNC(=O)CSCCC(C(=O)O)N(CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C14H24N2O8S/c1-2-9(17)5-15-11(18)8-25-4-3-10(14(23)24)16(6-12(19)20)7-13(21)22/h9-10,17H,2-8H2,1H3,(H,15,18)(H,19,20)(H,21,22)(H,23,24)