[(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-oxidanyl-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-oxidanyl-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-hydroxy-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]-2-hydroxy-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]cyclohexyl]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]-2-hydroxy-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]oxycyclohexyl]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-hydroxy-cyclohexoxy]-4,5-bis(tert-butoxycarbonylamino)tetrahydropyran-2-yl]methyl ester Formula: C58H99N7O24 MolecularWeight: 1278.43916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(CC(C(C2O)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]2O)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/C58H99N7O24/c1-29(66)77-28-37-43(79-31(3)68)38(64-51(75)88-57(16,17)18)39(65-52(76)89-58(19,20)21)46(81-37)83-41-34(61-44(70)36(78-30(2)67)24-25-59-47(71)84-53(4,5)6)26-35(63-50(74)87-56(13,14)15)42(40(41)69)82-45-33(62-49(73)86-55(10,11)12)23-22-32(80-45)27-60-48(72)85-54(7,8)9/h32-43,45-46,69H,22-28H2,1-21H3,(H,59,71)(H,60,72)(H,61,70)(H,62,73)(H,63,74)(H,64,75)(H,65,76)/t32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43+,45+,46+/m0/s1