tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate

C251H421N17O59 — CID 160789455

IUPACtetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate
SMILESCNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNNCC=O)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNN[C@H](C=O)C(C)C)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNN[C@H](C=O)Cc2ccccc2)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C42H65N3O9.C38H65N3O9.C35H59N3O9.4C34H58N2O8/c1-29(2)18-19-36-41(5,54-36)39-38(50-6)35(20-21-42(39)28-52-42)53-37(48)24-32(30(3)4)27-51-40(49)43-22-14-9-7-8-13-17-34(47)25-44-45-33(26-46)23-31-15-11-10-12-16-31;1-25(2)15-16-32-37(7,50-32)35-34(46-8)31(17-18-38(35)24-48-38)49-33(44)20-28(26(3)4)23-47-36(45)39-19-13-11-9-10-12-14-29(43)21-40-41-30(22-42)27(5)6;1-24(2)13-14-29-34(5,47-29)32-31(43-6)28(15-16-35(32)23-45-35)46-30(41)20-26(25(3)4)22-44-33(42)36-17-11-9-7-8-10-12-27(40)21-38-37-18-19-39;4*1-23(2)14-15-28-33(5,44-28)31-30(40-7)27(16-17-34(31)22-42-34)43-29(38)19-25(24(3)4)21-41-32(39)36-18-12-10-8-9-11-13-26(37)20-35-6/h10-12,15-16,18,26,30,32-33,35-36,38-39,44-45H,7-9,13-14,17,19-25,27-28H2,1-6H3,(H,43,49);15,22,26-28,30-32,34-35,40-41H,9-14,16-21,23-24H2,1-8H3,(H,39,45);13,19,25-26,28-29,31-32,37-38H,7-12,14-18,20-23H2,1-6H3,(H,36,42);4*14,24-25,27-28,30-31,35H,8-13,15-22H2,1-7H3,(H,36,39)/t32-,33-,35?,36+,38?,39?,41?,42-;28-,30+,31?,32+,34?,35?,37?,38-;26-,28?,29+,31?,32?,34?,35-;4*25-,27?,28+,30?,31?,33?,34-/m0000000/s1
InChIKeySBQKERAYJDHDDM-MXPIAGAQSA-N
MW4621.19 g/mol
LogP35.72
Rot. Bonds152

About tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate

tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate (PubChem CID 160789455) has the molecular formula C251H421N17O59 and a molecular weight of 4621.19 g/mol. Its IUPAC name is tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate.

Molecular Properties

Compound Nametetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate
PubChem CID160789455
Molecular FormulaC251H421N17O59
Molecular Weight4621.19 g/mol
Exact Mass4618.05
IUPAC Nametetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate
SMILESCNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNNCC=O)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNN[C@H](C=O)C(C)C)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNN[C@H](C=O)Cc2ccccc2)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C42H65N3O9.C38H65N3O9.C35H59N3O9.4C34H58N2O8/c1-29(2)18-19-36-41(5,54-36)39-38(50-6)35(20-21-42(39)28-52-42)53-37(48)24-32(30(3)4)27-51-40(49)43-22-14-9-7-8-13-17-34(47)25-44-45-33(26-46)23-31-15-11-10-12-16-31;1-25(2)15-16-32-37(7,50-32)35-34(46-8)31(17-18-38(35)24-48-38)49-33(44)20-28(26(3)4)23-47-36(45)39-19-13-11-9-10-12-14-29(43)21-40-41-30(22-42)27(5)6;1-24(2)13-14-29-34(5,47-29)32-31(43-6)28(15-16-35(32)23-45-35)46-30(41)20-26(25(3)4)22-44-33(42)36-17-11-9-7-8-10-12-27(40)21-38-37-18-19-39;4*1-23(2)14-15-28-33(5,44-28)31-30(40-7)27(16-17-34(31)22-42-34)43-29(38)19-25(24(3)4)21-41-32(39)36-18-12-10-8-9-11-13-26(37)20-35-6/h10-12,15-16,18,26,30,32-33,35-36,38-39,44-45H,7-9,13-14,17,19-25,27-28H2,1-6H3,(H,43,49);15,22,26-28,30-32,34-35,40-41H,9-14,16-21,23-24H2,1-8H3,(H,39,45);13,19,25-26,28-29,31-32,37-38H,7-12,14-18,20-23H2,1-6H3,(H,36,42);4*14,24-25,27-28,30-31,35H,8-13,15-22H2,1-7H3,(H,36,39)/t32-,33-,35?,36+,38?,39?,41?,42-;28-,30+,31?,32+,34?,35?,37?,38-;26-,28?,29+,31?,32?,34?,35-;4*25-,27?,28+,30?,31?,33?,34-/m0000000/s1
InChIKeySBQKERAYJDHDDM-MXPIAGAQSA-N
XLogP35.72
TPSA983.44 Ų
H-Bond Donors17
H-Bond Acceptors69
Rotatable Bonds152
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004621.19
LogP ≤ 535.72
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1069

Analyze tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-3-[[9-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-8-oxononyl]carbamoyloxymethyl]-4-methylpentanoate
CID 158288267
[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-(2-aminoethoxy)ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-(butanoylamino)ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-(2-oxoethylamino)propanoylamino]ethoxy]ethoxy]butanoate;[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate
CID 159424101
[(2R)-2-[[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]-3-methylbutyl] N-[9-(fluoroamino)-8-oxononyl]carbamate
CID 167548475
[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 8-[[2-[[4-[[(2S)-2-hydrazinyl-3-phenylpropanoyl]amino]-2,3-dioxobutyl]amino]acetyl]amino]octanoate
CID 157399439
[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[(2R)-3-methyl-1-[6-[[2-[2-[(2S)-4-methyl-1-oxopentan-2-yl]hydrazinyl]acetyl]amino]hexylcarbamoyloxy]butan-2-yl]carbamate
CID 118606122
[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 4-[2-[2-[3-[[(2S)-1-oxo-1-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]-3-phenylpropan-2-yl]amino]propanoylamino]ethoxy]ethoxy]butanoate
CID 160795952
[(3R,4S,5S,6R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-3-phenylbutanoate
CID 162058349
[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[3-[6-[[2-(methylamino)acetyl]amino]hexylamino]-3-oxopropyl]carbamate
CID 148967407
[(2R)-2-[[5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]-3-methylbutyl] N-[6-[[2-(fluoroamino)acetyl]amino]hexyl]carbamate
CID 146266242
[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 8-[[2-[[4-[[(2S)-2-hydrazinyl-3-methylbutanoyl]amino]-2,3-dioxobutyl]amino]acetyl]amino]octanoate
CID 157399437
[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(6-aminohexyl)carbamate
CID 88870406
10-O-[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl decanedioate
CID 88931311

Frequently Asked Questions

What is the IUPAC name of tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate?
The IUPAC name of tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate (CID 160789455) is tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate.
What is the SMILES notation for tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate?
The canonical SMILES for tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate is CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.CNCC(=O)CCCCCCCNC(=O)OC[C@H](CC(=O)OC1CC[C@]2(CO2)C(C2(C)O[C@@H]2CC=C(C)C)C1OC)C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNNCC=O)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNN[C@H](C=O)C(C)C)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.COC1C(OC(=O)C[C@@H](COC(=O)NCCCCCCCC(=O)CNN[C@H](C=O)Cc2ccccc2)C(C)C)CC[C@]2(CO2)C1C1(C)O[C@@H]1CC=C(C)C.
What is the InChIKey of tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate?
The InChIKey is SBQKERAYJDHDDM-MXPIAGAQSA-N. The full InChI is InChI=1S/C42H65N3O9.C38H65N3O9.C35H59N3O9.4C34H58N2O8/c1-29(2)18-19-36-41(5,54-36)39-38(50-6)35(20-21-42(39)28-52-42)53-37(48)24-32(30(3)4)27-51-40(49)43-22-14-9-7-8-13-17-34(47)25-44-45-33(26-46)23-31-15-11-10-12-16-31;1-25(2)15-16-32-37(7,50-32)35-34(46-8)31(17-18-38(35)24-48-38)49-33(44)20-28(26(3)4)23-47-36(45)39-19-13-11-9-10-12-14-29(43)21-40-41-30(22-42)27(5)6;1-24(2)13-14-29-34(5,47-29)32-31(43-6)28(15-16-35(32)23-45-35)46-30(41)20-26(25(3)4)22-44-33(42)36-17-11-9-7-8-10-12-27(40)21-38-37-18-19-39;4*1-23(2)14-15-28-33(5,44-28)31-30(40-7)27(16-17-34(31)22-42-34)43-29(38)19-25(24(3)4)21-41-32(39)36-18-12-10-8-9-11-13-26(37)20-35-6/h10-12,15-16,18,26,30,32-33,35-36,38-39,44-45H,7-9,13-14,17,19-25,27-28H2,1-6H3,(H,43,49);15,22,26-28,30-32,34-35,40-41H,9-14,16-21,23-24H2,1-8H3,(H,39,45);13,19,25-26,28-29,31-32,37-38H,7-12,14-18,20-23H2,1-6H3,(H,36,42);4*14,24-25,27-28,30-31,35H,8-13,15-22H2,1-7H3,(H,36,39)/t32-,33-,35?,36+,38?,39?,41?,42-;28-,30+,31?,32+,34?,35?,37?,38-;26-,28?,29+,31?,32?,34?,35-;4*25-,27?,28+,30?,31?,33?,34-/m0000000/s1.
What are the key properties of tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate?
tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate has a molecular weight of 4621.19 g/mol, XLogP of 35.72, 152 rotatable bonds, 17 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis([(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-(methylamino)-8-oxononyl]carbamoyloxymethyl]pentanoate);[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[9-[2-[(2S)-3-methyl-1-oxobutan-2-yl]hydrazinyl]-8-oxononyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-(2-oxoethyl)hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate;[(3R)-5-methoxy-4-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3R)-4-methyl-3-[[8-oxo-9-[2-[(2S)-1-oxo-3-phenylpropan-2-yl]hydrazinyl]nonyl]carbamoyloxymethyl]pentanoate is sourced from PubChem (CID 160789455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).