2-[bis(carboxymethyl)amino]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoic acid

Systemtic Name: 2-[bis(carboxymethyl)amino]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoic acid Openeye Name: 2-[bis(carboxymethyl)amino]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoic acid CAS Name: 2-[bis(carboxymethyl)amino]-6-[[3-(methylsulfonylthio)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[bis(carboxymethyl)amino]-6-(3-methylsulfonylsulfanylpropanoylamino)hexanoic acid Traditional Name: 2-[bis(carboxymethyl)amino]-6-[3-(mesylthio)propanoylamino]hexanoic acid Formula: C14H24N2O9S2 MolecularWeight: 428.47836

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CS(=O)(=O)SCCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C14H24N2O9S2/c1-27(24,25)26-7-5-11(17)15-6-3-2-4-10(14(22)23)16(8-12(18)19)9-13(20)21/h10H,2-9H2,1H3,(H,15,17)(H,18,19)(H,20,21)(H,22,23)