[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-2-[[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-oxan-2-yl]methylcarbamothioylamino]methyl]oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-2-[[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-oxan-2-yl]methylcarbamothioylamino]methyl]oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-methoxy-2-[[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxy-tetrahydropyran-2-yl]methylcarbamothioylamino]methyl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-2-[[[sulfanylidene-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxy-2-oxanyl]methylamino]methyl]amino]methyl]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-methoxy-2-[[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methylcarbamothioylamino]methyl]oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-methoxy-2-[[[(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-methoxy-tetrahydropyran-2-yl]methylthiocarbamoylamino]methyl]tetrahydropyran-3-yl] ester Formula: C27H40N2O16S MolecularWeight: 680.6753

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)CNC(=S)NCC2C(C(C(C(O2)OC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)CNC(=S)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H40N2O16S/c1-11(30)38-19-17(44-25(36-7)23(42-15(5)34)21(19)40-13(3)32)9-28-27(46)29-10-18-20(39-12(2)31)22(41-14(4)33)24(43-16(6)35)26(37-8)45-18/h17-26H,9-10H2,1-8H3,(H2,28,29,46)/t17-,18-,19-,20-,21+,22+,23-,24-,25+,26+/m1/s1