[(2S,3R,4R,5S,6S)-6-[(2R,3R,4R,5S,6R)-5-acetamido-2-[(4-methoxyphenoxy)methyl]-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]sulfanyl-4,5-diacetyloxy-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5S,6S)-6-[(2R,3R,4R,5S,6R)-5-acetamido-2-[(4-methoxyphenoxy)methyl]-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]sulfanyl-4,5-diacetyloxy-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6R)-3-acetamido-2-benzyloxy-5-hydroxy-6-[(4-methoxyphenoxy)methyl]tetrahydropyran-4-yl]sulfanyl-4,5-diacetoxy-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6S)-6-[[(2R,3R,4R,5S,6R)-5-acetamido-3-hydroxy-2-[(4-methoxyphenoxy)methyl]-6-phenylmethoxy-4-oxanyl]thio]-4,5-diacetyloxy-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-6-[(2R,3R,4R,5S,6R)-5-acetamido-3-hydroxy-2-[(4-methoxyphenoxy)methyl]-6-phenylmethoxyoxan-4-yl]sulfanyl-4,5-diacetyloxy-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6S)-6-[[(2R,3S,4R,5R,6R)-3-acetamido-2-benzoxy-5-hydroxy-6-[(4-methoxyphenoxy)methyl]tetrahydropyran-4-yl]thio]-4,5-diacetoxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C34H43NO13S MolecularWeight: 705.76912

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC2C(C(OC(C2O)COC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)S[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)COC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H43NO13S/c1-18-29(45-20(3)37)30(46-21(4)38)31(47-22(5)39)34(44-18)49-32-27(35-19(2)36)33(43-16-23-10-8-7-9-11-23)48-26(28(32)40)17-42-25-14-12-24(41-6)13-15-25/h7-15,18,26-34,40H,16-17H2,1-6H3,(H,35,36)/t18-,26+,27+,28+,29+,30+,31-,32+,33+,34-/m0/s1