2-[[4-(2-azanylethylsulfanyl)-2-[bis(carboxymethyl)amino]-5-oxidanyl-cyclohexyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-(2-azanylethylsulfanyl)-2-[bis(carboxymethyl)amino]-5-oxidanyl-cyclohexyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[4-(2-aminoethylsulfanyl)-2-[bis(carboxymethyl)amino]-5-hydroxy-cyclohexyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[4-(2-aminoethylthio)-2-[bis(carboxymethyl)amino]-5-hydroxycyclohexyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[4-(2-aminoethylsulfanyl)-2-[bis(carboxymethyl)amino]-5-hydroxycyclohexyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[4-(2-aminoethylthio)-2-[bis(carboxymethyl)amino]-5-hydroxy-cyclohexyl]-(carboxymethyl)amino]acetic acid Formula: C16H27N3O9S MolecularWeight: 437.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1O)SCCN)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1C(C(CC(C1O)SCCN)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H27N3O9S/c17-1-2-29-12-4-10(19(7-15(25)26)8-16(27)28)9(3-11(12)20)18(5-13(21)22)6-14(23)24/h9-12,20H,1-8,17H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)