9H-fluoren-9-ylmethyl N-[3-[[(2R,4aR,6R,7R,8R,8aS)-8-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[3-[[(2R,4aR,6R,7R,8R,8aS)-8-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-oxidanylidene-propyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[3-[[(2R,4aR,6R,7R,8R,8aS)-8-[(2S,3R,4R,5S,6S)-3,5-dibenzyloxy-6-methyl-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzyloxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[(2R,4aR,6R,7R,8R,8aS)-8-[[(2S,3R,4R,5S,6S)-4-[[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-6-methyl-3,5-bis(phenylmethoxy)-2-oxanyl]oxy]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-oxopropyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[[(2R,4aR,6R,7R,8R,8aS)-8-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-oxopropyl]carbamate Traditional Name: N-[3-[[(2R,4aR,6R,7R,8R,8aS)-8-[(2S,3R,4R,5S,6S)-3,5-dibenzoxy-6-methyl-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzoxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-keto-propyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C79H84N2O17 MolecularWeight: 1333.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC3C2OC(OC3)C4=CC=CC=C4)OC)NC(=O)CCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)OCC8=CC=CC=C8)OC9C(C(C(C(O9)CO)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

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]3[C@H]2O[C@@H](OC3)C4=CC=CC=C4)OC)NC(=O)CCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)OCC8=CC=CC=C8)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)CO)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C79H84N2O17/c1-51-67(86-44-52-25-9-3-10-26-52)72(98-78-73(89-47-55-31-15-6-16-32-55)71(88-46-54-29-13-5-14-30-54)68(63(43-82)94-78)87-45-53-27-11-4-12-28-53)74(90-48-56-33-17-7-18-34-56)77(93-51)97-70-66(76(85-2)95-64-50-91-75(96-69(64)70)57-35-19-8-20-36-57)81-65(83)41-42-80-79(84)92-49-62-60-39-23-21-37-58(60)59-38-22-24-40-61(59)62/h3-40,51,62-64,66-78,82H,41-50H2,1-2H3,(H,80,84)(H,81,83)/t51-,63-,64+,66+,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-/m0/s1