2-[bis(carboxymethyl)amino]-3-[2-(2-oxidanylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-[bis(carboxymethyl)amino]-3-[2-(2-oxidanylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-3-[2-(2-hydroxybutylamino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-3-[[2-(2-hydroxybutylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-3-[2-(2-hydroxybutylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-3-[[2-(2-hydroxybutylamino)-2-keto-ethyl]thio]propionic acid Formula: C13H22N2O8S MolecularWeight: 366.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O8S/c1-2-8(16)3-14-10(17)7-24-6-9(13(22)23)15(4-11(18)19)5-12(20)21/h8-9,16H,2-7H2,1H3,(H,14,17)(H,18,19)(H,20,21)(H,22,23)