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

Systemtic Name: 2-[bis(carboxymethyl)amino]-4-[2-oxidanylidene-2-(2-oxidanylpropylamino)ethyl]sulfanyl-butanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-4-[2-(2-hydroxypropylamino)-2-oxo-ethyl]sulfanyl-butanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-4-[[2-(2-hydroxypropylamino)-2-oxoethyl]thio]butanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-4-[2-(2-hydroxypropylamino)-2-oxoethyl]sulfanylbutanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-4-[[2-(2-hydroxypropylamino)-2-keto-ethyl]thio]butyric acid Formula: C13H22N2O8S MolecularWeight: 366.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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