2-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-sulfanylidenemethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoyl-(carboxymethyl)amino]acetic acid Formula: C19H27N3O12S MolecularWeight: 521.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=S)N(CC(=O)O)CC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1NC(=S)N(CC(=O)O)CC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H27N3O12S/c1-8(23)20-15-17(33-11(4)26)16(32-10(3)25)12(7-31-9(2)24)34-18(15)21-19(35)22(5-13(27)28)6-14(29)30/h12,15-18H,5-7H2,1-4H3,(H,20,23)(H,21,35)(H,27,28)(H,29,30)