2-[bis(carboxymethyl)amino]-4-(2-oxidanylbutylsulfanyl)butanoic acid

Systemtic Name: 2-[bis(carboxymethyl)amino]-4-(2-oxidanylbutylsulfanyl)butanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-4-(2-hydroxybutylsulfanyl)butanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-4-(2-hydroxybutylthio)butanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-4-(2-hydroxybutylsulfanyl)butanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-4-(2-hydroxybutylthio)butyric acid Formula: C12H21NO7S MolecularWeight: 323.36264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO7S/c1-2-8(14)7-21-4-3-9(12(19)20)13(5-10(15)16)6-11(17)18/h8-9,14H,2-7H2,1H3,(H,15,16)(H,17,18)(H,19,20)