[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-carbamimidoylsulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-carbamimidoylsulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-carbamimidoylsulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(carbamimidoylthio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-carbamimidoylsulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-(amidinothio)tetrahydropyran-2-yl]methyl ester Formula: C15H23N3O8S MolecularWeight: 405.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC(=N)N)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SC(=N)N)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H23N3O8S/c1-6(19)18-11-13(25-9(4)22)12(24-8(3)21)10(5-23-7(2)20)26-14(11)27-15(16)17/h10-14H,5H2,1-4H3,(H3,16,17)(H,18,19)/t10-,11-,12-,13-,14+/m1/s1