[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(3R,4S,5S,6S)-6-aminocarbonyl-4-aminocarbonyloxy-2,5-bis(oxidanyl)oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(3R,4S,5S,6S)-6-aminocarbonyl-4-aminocarbonyloxy-2,5-bis(oxidanyl)oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-[(3R,4S,5S,6S)-6-carbamoyl-4-carbamoyloxy-2,5-dihydroxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[[(3R,4S,5S,6S)-6-carbamoyl-4-carbamoyloxy-2,5-dihydroxy-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[(3R,4S,5S,6S)-6-carbamoyl-4-carbamoyloxy-2,5-dihydroxyoxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-[(3R,4S,5S,6S)-6-carbamoyl-4-carbamoyloxy-2,5-dihydroxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C21H31N3O15 MolecularWeight: 565.48194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2O)C(=O)N)O)OC(=O)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]1O[C@@H]2[C@H]([C@@H]([C@H](OC2O)C(=O)N)O)OC(=O)N)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H31N3O15/c1-6(25)24-11-14(35-9(4)28)13(34-8(3)27)10(5-33-7(2)26)36-20(11)38-17-15(39-21(23)32)12(29)16(18(22)30)37-19(17)31/h10-17,19-20,29,31H,5H2,1-4H3,(H2,22,30)(H2,23,32)(H,24,25)/t10-,11-,12+,13-,14-,15+,16+,17-,19?,20+/m1/s1