(phenylmethyl) N-[6-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxyhexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxyhexyl]carbamate Openeye Name: benzyl N-[6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(benzyloxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(benzyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexyl]carbamate CAS Name: N-[6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-6-(phenylmethoxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]hexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexyl]carbamate Traditional Name: N-[6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(benzoxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(benzoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexyl]carbamic acid benzyl ester Formula: C69H84N2O17 MolecularWeight: 1213.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)COCC4=CC=CC=C4)O)O)O)COCC5=CC=CC=C5)OCCCCCCNC(=O)OCC6=CC=CC=C6)NC(=O)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)O)O)O)COCC5=CC=CC=C5)OCCCCCCNC(=O)OCC6=CC=CC=C6)NC(=O)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C69H84N2O17/c1-47-61(80-41-51-29-15-7-16-30-51)64(81-42-52-31-17-8-18-32-52)65(82-43-53-33-19-9-20-34-53)68(84-47)88-63-57(71-48(2)72)66(79-38-24-4-3-23-37-70-69(76)83-44-54-35-21-10-22-36-54)86-56(46-78-40-50-27-13-6-14-28-50)62(63)87-67-60(75)59(74)58(73)55(85-67)45-77-39-49-25-11-5-12-26-49/h5-22,25-36,47,55-68,73-75H,3-4,23-24,37-46H2,1-2H3,(H,70,76)(H,71,72)/t47-,55+,56+,57+,58-,59-,60+,61+,62+,63+,64+,65-,66+,67-,68-/m0/s1