7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide

C254H462N28O103P4 — CID 162038203

IUPAC7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide
SMILESCC(=O)NC1[C@H](OCCCCC(=O)CCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C74H132N7O28P.C65H120N7O25P.C59H108N7O25P.C56H102N7O25P/c1-49(85)77-62-68(98)65(95)56(45-82)107-72(62)103-42-21-18-30-52(88)27-12-6-9-15-33-59(92)75-36-24-38-80(61(94)35-17-11-8-14-29-54(90)32-20-23-44-105-74-64(79-51(3)87)70(100)67(97)58(47-84)109-74)40-26-41-81(71(101)55(91)48-106-110(4,5)102)39-25-37-76-60(93)34-16-10-7-13-28-53(89)31-19-22-43-104-73-63(78-50(2)86)69(99)66(96)57(46-83)108-73;1-43(76)68-53-59(86)56(83)47(39-73)95-63(53)91-36-21-15-9-6-12-18-27-50(80)66-30-24-32-71(52(82)29-20-14-8-11-17-23-38-93-65-55(70-45(3)78)61(88)58(85)49(41-75)97-65)34-26-35-72(62(89)46(79)42-94-98(4,5)90)33-25-31-67-51(81)28-19-13-7-10-16-22-37-92-64-54(69-44(2)77)60(87)57(84)48(40-74)96-64;1-37(70)62-47-53(80)50(77)41(33-67)89-57(47)85-30-15-9-6-12-21-44(74)60-24-18-26-65(46(76)23-14-8-11-17-32-87-59-49(64-39(3)72)55(82)52(79)43(35-69)91-59)28-20-29-66(56(83)40(73)36-88-92(4,5)84)27-19-25-61-45(75)22-13-7-10-16-31-86-58-48(63-38(2)71)54(81)51(78)42(34-68)90-58;1-34(67)59-44-50(77)47(74)38(30-64)86-54(44)82-27-12-6-9-18-41(71)57-21-15-23-62(43(73)20-11-8-14-29-84-56-46(61-36(3)69)52(79)49(76)40(32-66)88-56)25-17-26-63(53(80)37(70)33-85-89(4,5)81)24-16-22-58-42(72)19-10-7-13-28-83-55-45(60-35(2)68)51(78)48(75)39(31-65)87-55/h55-58,62-70,72-74,82-84,91,95-100H,6-48H2,1-5H3,(H,75,92)(H,76,93)(H,77,85)(H,78,86)(H,79,87);46-49,53-61,63-65,73-75,79,83-88H,6-42H2,1-5H3,(H,66,80)(H,67,81)(H,68,76)(H,69,77)(H,70,78);40-43,47-55,57-59,67-69,73,77-82H,6-36H2,1-5H3,(H,60,74)(H,61,75)(H,62,70)(H,63,71)(H,64,72);37-40,44-52,54-56,64-66,70,74-79H,6-33H2,1-5H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)/t55?,56?,57?,58?,62?,63?,64?,65-,66-,67-,68+,69+,70+,72+,73+,74+;46?,47?,48?,49?,53?,54?,55?,56-,57-,58-,59+,60+,61+,63+,64+,65+;40?,41?,42?,43?,47?,48?,49?,50-,51-,52-,53+,54+,55+,57+,58+,59+;37?,38?,39?,40?,44?,45?,46?,47-,48-,49-,50+,51+,52+,54+,55+,56+/m0000/s1
InChIKeyYWXSENMDRRIFQC-ULZLOEMYSA-N
MW5680.48 g/mol
LogP-8.67
Rot. Bonds202

About 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide

7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide (PubChem CID 162038203) has the molecular formula C254H462N28O103P4 and a molecular weight of 5680.48 g/mol. Its IUPAC name is 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide.

Molecular Properties

Compound Name7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide
PubChem CID162038203
Molecular FormulaC254H462N28O103P4
Molecular Weight5680.48 g/mol
Exact Mass5677.07
IUPAC Name7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide
SMILESCC(=O)NC1[C@H](OCCCCC(=O)CCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C74H132N7O28P.C65H120N7O25P.C59H108N7O25P.C56H102N7O25P/c1-49(85)77-62-68(98)65(95)56(45-82)107-72(62)103-42-21-18-30-52(88)27-12-6-9-15-33-59(92)75-36-24-38-80(61(94)35-17-11-8-14-29-54(90)32-20-23-44-105-74-64(79-51(3)87)70(100)67(97)58(47-84)109-74)40-26-41-81(71(101)55(91)48-106-110(4,5)102)39-25-37-76-60(93)34-16-10-7-13-28-53(89)31-19-22-43-104-73-63(78-50(2)86)69(99)66(96)57(46-83)108-73;1-43(76)68-53-59(86)56(83)47(39-73)95-63(53)91-36-21-15-9-6-12-18-27-50(80)66-30-24-32-71(52(82)29-20-14-8-11-17-23-38-93-65-55(70-45(3)78)61(88)58(85)49(41-75)97-65)34-26-35-72(62(89)46(79)42-94-98(4,5)90)33-25-31-67-51(81)28-19-13-7-10-16-22-37-92-64-54(69-44(2)77)60(87)57(84)48(40-74)96-64;1-37(70)62-47-53(80)50(77)41(33-67)89-57(47)85-30-15-9-6-12-21-44(74)60-24-18-26-65(46(76)23-14-8-11-17-32-87-59-49(64-39(3)72)55(82)52(79)43(35-69)91-59)28-20-29-66(56(83)40(73)36-88-92(4,5)84)27-19-25-61-45(75)22-13-7-10-16-31-86-58-48(63-38(2)71)54(81)51(78)42(34-68)90-58;1-34(67)59-44-50(77)47(74)38(30-64)86-54(44)82-27-12-6-9-18-41(71)57-21-15-23-62(43(73)20-11-8-14-29-84-56-46(61-36(3)69)52(79)49(76)40(32-66)88-56)25-17-26-63(53(80)37(70)33-85-89(4,5)81)24-16-22-58-42(72)19-10-7-13-28-83-55-45(60-35(2)68)51(78)48(75)39(31-65)87-55/h55-58,62-70,72-74,82-84,91,95-100H,6-48H2,1-5H3,(H,75,92)(H,76,93)(H,77,85)(H,78,86)(H,79,87);46-49,53-61,63-65,73-75,79,83-88H,6-42H2,1-5H3,(H,66,80)(H,67,81)(H,68,76)(H,69,77)(H,70,78);40-43,47-55,57-59,67-69,73,77-82H,6-36H2,1-5H3,(H,60,74)(H,61,75)(H,62,70)(H,63,71)(H,64,72);37-40,44-52,54-56,64-66,70,74-79H,6-33H2,1-5H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)/t55?,56?,57?,58?,62?,63?,64?,65-,66-,67-,68+,69+,70+,72+,73+,74+;46?,47?,48?,49?,53?,54?,55?,56-,57-,58-,59+,60+,61+,63+,64+,65+;40?,41?,42?,43?,47?,48?,49?,50-,51-,52-,53+,54+,55+,57+,58+,59+;37?,38?,39?,40?,44?,45?,46?,47-,48-,49-,50+,51+,52+,54+,55+,56+/m0000/s1
InChIKeyYWXSENMDRRIFQC-ULZLOEMYSA-N
XLogP-8.67
TPSA1931.61 Ų
H-Bond Donors60
H-Bond Acceptors103
Rotatable Bonds202
Heavy Atoms389
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005680.48
LogP ≤ 5-8.67
H-Bond Donors ≤ 560
H-Bond Acceptors ≤ 10103

Analyze 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide with MolForge

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Related Compounds

8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctanoyl-[4-[3-[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]butyl]amino]propyl]octanamide
CID 158213014
[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl]amino]propyl-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid;[3-[3-[[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxooctanoyl]-[3-[[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxooctanoyl]amino]propyl]amino]propyl-[3-[[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxooctanoyl]amino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid
CID 159266967
[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl]amino]propyl-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid;[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl]amino]propyl-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid;[3-[3-[6-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanoyl-[3-[6-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanoylamino]propyl]amino]propyl-[3-[6-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanoylamino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid
CID 163677904
[3-[4-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl]amino]butyl-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid;[3-[4-[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctanoyl-[3-[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctanoylamino]propyl]amino]butyl-[3-[8-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctanoylamino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid
CID 161417051
[3-[4-[4-[5-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]butanoyl-[3-[4-[5-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]butanoylamino]propyl]amino]butyl-[3-[4-[5-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoylamino]butanoylamino]propyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid;5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[2-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl-[2-[2-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl-[2-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]ethyl]amino]ethyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]ethyl]amino]ethyl]pentanamide;methane
CID 163717254
2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-[2-[2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl]oxyethyl]amino]ethyl 2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-(2-methoxyethyl)amino]ethyl hydrogen phosphate;2-methylpropane
CID 165024536
[10-[3-[[9-[(1R,2S,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-5-oxononyl]-[5-[(1R,2S,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypentanoyl]amino]propyl-[3-[5-[(1R,2S,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypentanoylamino]propyl]amino]-2-hydroxy-5,10-dioxodecoxy]-methylphosphinic acid;[3-[2-[5-[(1R,2S,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypentanoyl-[2-[5-[(1R,2S,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypentanoylamino]ethyl]amino]ethyl-[2-[5-[(1R,2S,4S)-2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxypentanoylamino]ethyl]amino]-2-hydroxy-3-oxopropoxy]-methylphosphinic acid
CID 167700066
2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-[2-[2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-[2-[(3R)-heptan-3-yl]oxyethyl]amino]ethoxy-hydroxyphosphoryl]oxyethyl]amino]ethyl 2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-(2-hydroxyethyl)amino]ethyl hydrogen phosphate
CID 155031038
2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-[2-[2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl]oxyethyl]amino]ethyl 2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-(2-methoxyethyl)amino]ethyl hydrogen phosphate;ethane;2-methylpropane
CID 159948955
5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-(propanoylamino)propyl]pentanamide
CID 155804468
2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-[2-[2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-[2-(4-cyclopentylcycloheptyl)oxyethyl]amino]ethoxy-hydroxyphosphoryl]oxyethyl]amino]ethyl 2-[6-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]hexanoyl-(2-hydroxyethyl)amino]ethyl hydrogen phosphate
CID 134387215
N-[3-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-4-sulfanylbutanamide
CID 91464782

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide?
The IUPAC name of 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide (CID 162038203) is 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide.
What is the SMILES notation for 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide?
The canonical SMILES for 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide is CC(=O)NC1[C@H](OCCCCC(=O)CCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCC(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.CC(=O)NC1[C@H](OCCCCCCCCC(=O)NCCCN(CCCN(CCCNC(=O)CCCCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)C(=O)C(O)COP(C)(C)=O)C(=O)CCCCCCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)OC(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide?
The InChIKey is YWXSENMDRRIFQC-ULZLOEMYSA-N. The full InChI is InChI=1S/C74H132N7O28P.C65H120N7O25P.C59H108N7O25P.C56H102N7O25P/c1-49(85)77-62-68(98)65(95)56(45-82)107-72(62)103-42-21-18-30-52(88)27-12-6-9-15-33-59(92)75-36-24-38-80(61(94)35-17-11-8-14-29-54(90)32-20-23-44-105-74-64(79-51(3)87)70(100)67(97)58(47-84)109-74)40-26-41-81(71(101)55(91)48-106-110(4,5)102)39-25-37-76-60(93)34-16-10-7-13-28-53(89)31-19-22-43-104-73-63(78-50(2)86)69(99)66(96)57(46-83)108-73;1-43(76)68-53-59(86)56(83)47(39-73)95-63(53)91-36-21-15-9-6-12-18-27-50(80)66-30-24-32-71(52(82)29-20-14-8-11-17-23-38-93-65-55(70-45(3)78)61(88)58(85)49(41-75)97-65)34-26-35-72(62(89)46(79)42-94-98(4,5)90)33-25-31-67-51(81)28-19-13-7-10-16-22-37-92-64-54(69-44(2)77)60(87)57(84)48(40-74)96-64;1-37(70)62-47-53(80)50(77)41(33-67)89-57(47)85-30-15-9-6-12-21-44(74)60-24-18-26-65(46(76)23-14-8-11-17-32-87-59-49(64-39(3)72)55(82)52(79)43(35-69)91-59)28-20-29-66(56(83)40(73)36-88-92(4,5)84)27-19-25-61-45(75)22-13-7-10-16-31-86-58-48(63-38(2)71)54(81)51(78)42(34-68)90-58;1-34(67)59-44-50(77)47(74)38(30-64)86-54(44)82-27-12-6-9-18-41(71)57-21-15-23-62(43(73)20-11-8-14-29-84-56-46(61-36(3)69)52(79)49(76)40(32-66)88-56)25-17-26-63(53(80)37(70)33-85-89(4,5)81)24-16-22-58-42(72)19-10-7-13-28-83-55-45(60-35(2)68)51(78)48(75)39(31-65)87-55/h55-58,62-70,72-74,82-84,91,95-100H,6-48H2,1-5H3,(H,75,92)(H,76,93)(H,77,85)(H,78,86)(H,79,87);46-49,53-61,63-65,73-75,79,83-88H,6-42H2,1-5H3,(H,66,80)(H,67,81)(H,68,76)(H,69,77)(H,70,78);40-43,47-55,57-59,67-69,73,77-82H,6-36H2,1-5H3,(H,60,74)(H,61,75)(H,62,70)(H,63,71)(H,64,72);37-40,44-52,54-56,64-66,70,74-79H,6-33H2,1-5H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)/t55?,56?,57?,58?,62?,63?,64?,65-,66-,67-,68+,69+,70+,72+,73+,74+;46?,47?,48?,49?,53?,54?,55?,56-,57-,58-,59+,60+,61+,63+,64+,65+;40?,41?,42?,43?,47?,48?,49?,50-,51-,52-,53+,54+,55+,57+,58+,59+;37?,38?,39?,40?,44?,45?,46?,47-,48-,49-,50+,51+,52+,54+,55+,56+/m0000/s1.
What are the key properties of 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide?
7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide has a molecular weight of 5680.48 g/mol, XLogP of -8.67, 202 rotatable bonds, 60 hydrogen bond donors, and 103 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl-[3-[3-[7-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]heptanamide;6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl-[3-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]hexanamide;9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl-[3-[3-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoylamino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]nonanamide;12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]-[3-[3-[[12-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxododecanoyl]amino]propyl-(3-dimethylphosphoryloxy-2-hydroxypropanoyl)amino]propyl]amino]propyl]-8-oxododecanamide is sourced from PubChem (CID 162038203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).