2-[azanyl(phenylcarbonyl)amino]-2,3-bis(2-methylsulfonyloxyethyl)pentanedioic acid

Systemtic Name: 2-[azanyl(phenylcarbonyl)amino]-2,3-bis(2-methylsulfonyloxyethyl)pentanedioic acid Openeye Name: 2-[amino(benzoyl)amino]-2,3-bis(2-methylsulfonyloxyethyl)pentanedioic acid CAS Name: 2-[amino(benzoyl)amino]-2,3-bis(2-methylsulfonyloxyethyl)pentanedioic acid IUPAC Name: 2-[amino(benzoyl)amino]-2,3-bis(2-methylsulfonyloxyethyl)pentanedioic acid Traditional Name: 2-[amino(benzoyl)amino]-2,3-bis(2-methylsulfonyloxyethyl)glutaric acid Formula: C18H26N2O11S2 MolecularWeight: 510.53584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(CC(=O)O)C(CCOS(=O)(=O)C)(C(=O)O)N(C(=O)C1=CC=CC=C1)N

Isomeric SMILES

CS(=O)(=O)OCCC(CC(=O)O)C(CCOS(=O)(=O)C)(C(=O)O)N(C(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C18H26N2O11S2/c1-32(26,27)30-10-8-14(12-15(21)22)18(17(24)25,9-11-31-33(2,28)29)20(19)16(23)13-6-4-3-5-7-13/h3-7,14H,8-12,19H2,1-2H3,(H,21,22)(H,24,25)