3-azanylsulfanyl-4-(2-azanylsulfanylethylsulfanyl)-3,4-bis(carboxymethyl)hexanedioic acid

Systemtic Name: 3-azanylsulfanyl-4-(2-azanylsulfanylethylsulfanyl)-3,4-bis(carboxymethyl)hexanedioic acid Openeye Name: 3-aminosulfanyl-4-(2-aminosulfanylethylsulfanyl)-3,4-bis(carboxymethyl)hexanedioic acid CAS Name: 3-(aminothio)-4-[2-(aminothio)ethylthio]-3,4-bis(carboxymethyl)hexanedioic acid IUPAC Name: 3-aminosulfanyl-4-(2-aminosulfanylethylsulfanyl)-3,4-bis(carboxymethyl)hexanedioic acid Traditional Name: 3-(aminothio)-4-[2-(aminothio)ethylthio]-3,4-bis(carboxymethyl)adipic acid Formula: C12H20N2O8S3 MolecularWeight: 416.4908

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Descriptors Computed from Structure

Canonical SMILES:

C(CSN)SC(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CC(=O)O)SN

Isomeric SMILES

C(CSN)SC(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CC(=O)O)SN

InChI

InChI=1S/C12H20N2O8S3/c13-24-2-1-23-11(3-7(15)16,4-8(17)18)12(25-14,5-9(19)20)6-10(21)22/h1-6,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)