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(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R)-1-[[(2S)-1-[[(2R)-5-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-

(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R)-1-[[(2S)-1-[[(2R)-5-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-

Systemtic Name:(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R)-1-[[(2S)-1-[[(2R)-5-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2R)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-
Openeye Name:(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-[(1R)-2-[[(1S)-2-[[(1R)-4-[[(1S)-5-amino-1-[[(1R)-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-carboxy-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethoxy]-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-(hydroxymethyl)tetrahy
CAS Name:(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R)-1-[[(2S)-1-[[(2R)-5-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(hydroxymethyl)-3-ox
IUPAC Name:(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R)-1-[[(2S)-1-[[(2R)-5-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-hydroxy-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-(hydroxymethyl)oxan-3-y
Traditional Name:(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-[(1R)-2-[[(1S)-2-[[(1R)-4-[[(1S)-5-amino-1-[[(1R)-2-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]pentyl]amino]-1-carboxy-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethoxy]-6-[[[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-methylol-tetrahyd
Formula: C113H188N16O45P2
MolecularWeight: 2552.729542
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CO)CO)NC(=O)C


Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C


InChI

InChI=1S/C113H188N16O45P2/c1-57(2)31-25-32-58(3)33-26-34-59(4)35-27-36-60(5)37-28-38-61(6)39-29-40-62(7)41-30-42-63(8)49-52-163-175(159,160)174-176(161,162)173-113-89(125-75(20)137)97(165-71(16)103(148)117-67(12)101(146)129-79(109(157)158)46-48-85(139)127-77(44-22-24-51-115)105(150)119-65(10)99(144)121-69(14)107(153)154)95(83(56-133)169-113)172-111-87(123-73(18)135)92(142)93(81(54-131)167-111)170-112-88(124-74(19)136)96(94(82(55-132)168-112)171-110-86(122-72(17)134)91(141)90(140)80(53-130)166-110)164-70(15)102(147)116-66(11)100(145)128-78(108(155)156)45-47-84(138)126-76(43-21-23-50-114)104(149)118-64(9)98(143)120-68(13)106(151)152/h31,33,35,37,39,41,49,64-71,76-83,86-97,110-113,130-133,140-142H,21-30,32,34,36,38,40,42-48,50-56,114-115H2,1-20H3,(H,116,147)(H,117,148)(H,118,149)(H,119,150)(H,120,143)(H,121,144)(H,122,134)(H,123,135)(H,124,136)(H,125,137)(H,126,138)(H,127,139)(H,128,145)(H,129,146)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)/b58-33+,59-35+,60-37-,61-


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