[(3S,4S,5R,6R)-6-(5-acetamidoindol-1-yl)-4,5-diacetyloxy-oxan-3-yl] ethanoate

Systemtic Name: [(3S,4S,5R,6R)-6-(5-acetamidoindol-1-yl)-4,5-diacetyloxy-oxan-3-yl] ethanoate Openeye Name: [(3S,4S,5R,6R)-6-(5-acetamidoindol-1-yl)-4,5-diacetoxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(3S,4S,5R,6R)-6-(5-acetamido-1-indolyl)-4,5-diacetyloxy-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-6-(5-acetamidoindol-1-yl)-4,5-diacetyloxyoxan-3-yl] acetate Traditional Name: acetic acid [(3S,4S,5R,6R)-6-(5-acetamidoindol-1-yl)-4,5-diacetoxy-tetrahydropyran-3-yl] ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C=C2)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C=C2)[C@H]3[C@@H]([C@H]([C@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H24N2O8/c1-11(24)22-16-5-6-17-15(9-16)7-8-23(17)21-20(31-14(4)27)19(30-13(3)26)18(10-28-21)29-12(2)25/h5-9,18-21H,10H2,1-4H3,(H,22,24)/t18-,19-,20+,21+/m0/s1