(2S,3S,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[3-(2-azanylethylsulfanyl)propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-3-ol

Systemtic Name: (2S,3S,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[3-(2-azanylethylsulfanyl)propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-3-ol Openeye Name: (2S,3S,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[3-(2-aminoethylsulfanyl)propoxy]-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-4,5-bis[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]tetrahydropyran-3-ol CAS Name: (2S,3S,4R,5R,6R)-2-[[(2S,3S,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-2-[3-(2-aminoethylthio)propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-4,5-bis[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]-3-oxanol IUPAC Name: (2S,3S,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[3-(2-aminoethylsulfanyl)propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis[(4-chlorophenyl)methoxy]-6-[(4-chlorophenyl)methoxymethyl]oxan-3-ol Traditional Name: (2S,3S,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[3-(2-aminoethylthio)propoxy]-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]oxy-4,5-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]oxy-4,5-bis[(4-chlorobenzyl)oxy]-6-[(4-chlorobenzyl)oxymethyl]tetrahydropyran-3-ol Formula: C86H94Cl3NO16S MolecularWeight: 1536.08766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCCCSCCN)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC7C(C(C(C(O7)COCC8=CC=C(C=C8)Cl)OCC9=CC=C(C=C9)Cl)OCC1=CC=C(C=C1)Cl)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OCCCSCCN)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O[C@H]7[C@H]([C@H]([C@@H]([C@H](O7)COCC8=CC=C(C=C8)Cl)OCC9=CC=C(C=C9)Cl)OCC1=CC=C(C=C1)Cl)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C86H94Cl3NO16S/c87-69-38-32-66(33-39-69)50-94-57-72-76(96-55-67-34-40-70(88)41-35-67)79(99-56-68-36-42-71(89)43-37-68)75(91)84(102-72)105-83-81(101-54-65-30-17-6-18-31-65)78(98-52-63-26-13-4-14-27-63)74(59-93-49-61-22-9-2-10-23-61)104-86(83)106-82-80(100-53-64-28-15-5-16-29-64)77(97-51-62-24-11-3-12-25-62)73(58-92-48-60-20-7-1-8-21-60)103-85(82)95-45-19-46-107-47-44-90/h1-18,20-43,72-86,91H,19,44-59,90H2/t72-,73-,74-,75+,76-,77-,78-,79-,80+,81+,82+,83+,84+,85-,86+/m1/s1