[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(1S,2R,3R,4S,6R)-6-[[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-2-methylsulfonyloxy-cyclohexyl]oxy-4,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(1S,2R,3R,4S,6R)-6-[[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-2-methylsulfonyloxy-cyclohexyl]oxy-4,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-3-acetoxy-6-[(1S,2R,3R,4S,6R)-6-[[(2S)-2-acetoxy-4-(tert-butoxycarbonylamino)butanoyl]amino]-4-(tert-butoxycarbonylamino)-3-[(2R,3R,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-2-methylsulfonyloxy-cyclohexoxy]-4,5-bis(tert-butoxycarbonylamino)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(1S,2R,3R,4S,6R)-6-[[(2S)-2-acetyloxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(2R,3R,6S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxanyl]oxy]-2-methylsulfonyloxycyclohexyl]oxy-4,5-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(1S,2R,3R,4S,6R)-6-[[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-2-methylsulfonyloxycyclohexyl]oxy-4,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-3-acetoxy-6-[(1S,2R,3R,4S,6R)-6-[[(2S)-2-acetoxy-4-(tert-butoxycarbonylamino)butanoyl]amino]-4-(tert-butoxycarbonylamino)-3-[(2R,3R,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-2-methylsulfonyloxy-cyclohexoxy]-4,5-bis(tert-butoxycarbonylamino)tetrahydropyran-2-yl]methyl ester Formula: C59H101N7O26S MolecularWeight: 1356.52954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(CC(C(C2OS(=O)(=O)C)OC3C(CCC(O3)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)C(CCNC(=O)OC(C)(C)C)OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2OS(=O)(=O)C)O[C@@H]3[C@@H](CC[C@H](O3)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C59H101N7O26S/c1-30(67)79-29-38-43(81-32(3)69)39(65-52(75)90-58(16,17)18)40(66-53(76)91-59(19,20)21)47(83-38)85-41-35(62-45(70)37(80-31(2)68)25-26-60-48(71)86-54(4,5)6)27-36(64-51(74)89-57(13,14)15)42(44(41)92-93(22,77)78)84-46-34(63-50(73)88-56(10,11)12)24-23-33(82-46)28-61-49(72)87-55(7,8)9/h33-44,46-47H,23-29H2,1-22H3,(H,60,71)(H,61,72)(H,62,70)(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t33-,34+,35+,36-,37-,38+,39+,40+,41-,42+,43+,44+,46+,47+/m0/s1