[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-(3-azidopropylamino)-3-oxidanylidene-propoxy]-3,4-diacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-(3-azidopropylamino)-3-oxidanylidene-propoxy]-3,4-diacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-(3-azidopropylamino)-3-oxo-propoxy]-3,4-diacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-[[(2S)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-oxopropyl]amino]-3-(3-azidopropylamino)-3-oxopropoxy]-3,4-diacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-(3-azidopropylamino)-3-oxopropoxy]-3,4-diacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-(3-azidopropylamino)-3-keto-propoxy]-3,4-diacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C52H66N8O22 MolecularWeight: 1155.12084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC(C(=O)NCCCN=[N+]=[N-])NC(=O)C(COC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)NCCCN=[N+]=[N-])NC(=O)[C@H](CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C52H66N8O22/c1-25(61)56-42-46(79-31(7)67)44(77-29(5)65)40(23-72-27(3)63)81-50(42)74-21-38(48(69)54-18-13-19-55-60-53)58-49(70)39(59-52(71)76-20-37-35-16-11-9-14-33(35)34-15-10-12-17-36(34)37)22-75-51-43(57-26(2)62)47(80-32(8)68)45(78-30(6)66)41(82-51)24-73-28(4)64/h9-12,14-17,37-47,50-51H,13,18-24H2,1-8H3,(H,54,69)(H,56,61)(H,57,62)(H,58,70)(H,59,71)/t38-,39-,40+,41+,42+,43+,44-,45-,46+,47+,50-,51-/m0/s1