[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-(pent-4-enoylamino)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-(pent-4-enoylamino)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-3,4-diacetoxy-5-(pent-4-enoylamino)-6-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzyloxy-6-methoxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)-2-oxanyl]methoxy]-5-(1-oxopent-4-enylamino)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-(pent-4-enoylamino)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-3,4-diacetoxy-5-(pent-4-enoylamino)-6-[[(2R,3R,4S,5R,6S)-3,4,5-tribenzoxy-6-methoxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-yl]methyl ester Formula: C45H55NO14 MolecularWeight: 833.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)CCC=C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)CCC=C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C45H55NO14/c1-6-7-23-37(50)46-38-41(58-31(4)49)40(57-30(3)48)36(27-52-29(2)47)59-44(38)56-28-35-39(53-24-32-17-11-8-12-18-32)42(54-25-33-19-13-9-14-20-33)43(45(51-5)60-35)55-26-34-21-15-10-16-22-34/h6,8-22,35-36,38-45H,1,7,23-28H2,2-5H3,(H,46,50)/t35-,36-,38-,39-,40-,41-,42+,43-,44-,45+/m1/s1