3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid

C140H213N17O35 — CID 157469933

IUPAC3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid
SMILESC=C(/C=C(\C)C(C)(C)NC(=O)OCC(C)OCCOC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NCCCCCCN)c1)C(C)(C)NC(=O)OCC(C)(OC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)N(CCCC)CCCC)c1)C(=O)O.CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1.CC(CO)(CO)C(=O)O.CC(COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)OCC(C)(OC(=O)NC(C)(C)c2cccc(C(C)(C)N=C=O)c2)C(=O)O)c1)OCCOC(=O)NC(C)(C)c1cccc(C(C)(C)N=C=O)c1.CC(O)COC(C)CO
InChIInChI=1S/C64H105N9O13.C51H68N6O13.C14H16N2O2.C6H14O3.C5H10O4/c1-19-21-35-73(36-22-20-2)53(77)68-61(12,13)48-30-28-32-50(41-48)63(16,17)72-57(81)86-64(18,51(74)75)43-85-56(80)70-59(8,9)45(4)39-44(3)58(6,7)69-55(79)84-42-46(5)82-37-38-83-54(78)71-62(14,15)49-31-27-29-47(40-49)60(10,11)67-52(76)66-34-26-24-23-25-33-65;1-33(66-24-25-67-41(62)54-47(6,7)36-20-15-18-34(26-36)45(2,3)52-31-58)29-68-42(63)55-48(8,9)38-22-17-23-39(28-38)49(10,11)56-43(64)69-30-51(14,40(60)61)70-44(65)57-50(12,13)37-21-16-19-35(27-37)46(4,5)53-32-59;1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18;1-5(8)4-9-6(2)3-7;1-5(2-6,3-7)4(8)9/h27-32,39-41,46H,4,19-26,33-38,42-43,65H2,1-3,5-18H3,(H,68,77)(H,69,79)(H,70,80)(H,71,78)(H,72,81)(H,74,75)(H2,66,67,76);15-23,26-28,33H,24-25,29-30H2,1-14H3,(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,60,61);5-8H,1-4H3;5-8H,3-4H2,1-2H3;6-7H,2-3H2,1H3,(H,8,9)/b44-39+;;;;
InChIKeyBUXJZAKPYIYTKP-TYTOUQJWSA-N
MW2694.33 g/mol
LogP20.95
Rot. Bonds68

About 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid

3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid (PubChem CID 157469933) has the molecular formula C140H213N17O35 and a molecular weight of 2694.33 g/mol. Its IUPAC name is 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid
PubChem CID157469933
Molecular FormulaC140H213N17O35
Molecular Weight2694.33 g/mol
Exact Mass2692.54
IUPAC Name3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid
SMILESC=C(/C=C(\C)C(C)(C)NC(=O)OCC(C)OCCOC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NCCCCCCN)c1)C(C)(C)NC(=O)OCC(C)(OC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)N(CCCC)CCCC)c1)C(=O)O.CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1.CC(CO)(CO)C(=O)O.CC(COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)OCC(C)(OC(=O)NC(C)(C)c2cccc(C(C)(C)N=C=O)c2)C(=O)O)c1)OCCOC(=O)NC(C)(C)c1cccc(C(C)(C)N=C=O)c1.CC(O)COC(C)CO
InChIInChI=1S/C64H105N9O13.C51H68N6O13.C14H16N2O2.C6H14O3.C5H10O4/c1-19-21-35-73(36-22-20-2)53(77)68-61(12,13)48-30-28-32-50(41-48)63(16,17)72-57(81)86-64(18,51(74)75)43-85-56(80)70-59(8,9)45(4)39-44(3)58(6,7)69-55(79)84-42-46(5)82-37-38-83-54(78)71-62(14,15)49-31-27-29-47(40-49)60(10,11)67-52(76)66-34-26-24-23-25-33-65;1-33(66-24-25-67-41(62)54-47(6,7)36-20-15-18-34(26-36)45(2,3)52-31-58)29-68-42(63)55-48(8,9)38-22-17-23-39(28-38)49(10,11)56-43(64)69-30-51(14,40(60)61)70-44(65)57-50(12,13)37-21-16-19-35(27-37)46(4,5)53-32-59;1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18;1-5(8)4-9-6(2)3-7;1-5(2-6,3-7)4(8)9/h27-32,39-41,46H,4,19-26,33-38,42-43,65H2,1-3,5-18H3,(H,68,77)(H,69,79)(H,70,80)(H,71,78)(H,72,81)(H,74,75)(H2,66,67,76);15-23,26-28,33H,24-25,29-30H2,1-14H3,(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,60,61);5-8H,1-4H3;5-8H,3-4H2,1-2H3;6-7H,2-3H2,1H3,(H,8,9)/b44-39+;;;;
InChIKeyBUXJZAKPYIYTKP-TYTOUQJWSA-N
XLogP20.95
TPSA744.36 Ų
H-Bond Donors19
H-Bond Acceptors37
Rotatable Bonds68
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002694.33
LogP ≤ 520.95
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid?
The IUPAC name of 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid (CID 157469933) is 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid is C=C(/C=C(\C)C(C)(C)NC(=O)OCC(C)OCCOC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NCCCCCCN)c1)C(C)(C)NC(=O)OCC(C)(OC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)N(CCCC)CCCC)c1)C(=O)O.CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1.CC(CO)(CO)C(=O)O.CC(COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)OCC(C)(OC(=O)NC(C)(C)c2cccc(C(C)(C)N=C=O)c2)C(=O)O)c1)OCCOC(=O)NC(C)(C)c1cccc(C(C)(C)N=C=O)c1.CC(O)COC(C)CO.
What is the InChIKey of 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid?
The InChIKey is BUXJZAKPYIYTKP-TYTOUQJWSA-N. The full InChI is InChI=1S/C64H105N9O13.C51H68N6O13.C14H16N2O2.C6H14O3.C5H10O4/c1-19-21-35-73(36-22-20-2)53(77)68-61(12,13)48-30-28-32-50(41-48)63(16,17)72-57(81)86-64(18,51(74)75)43-85-56(80)70-59(8,9)45(4)39-44(3)58(6,7)69-55(79)84-42-46(5)82-37-38-83-54(78)71-62(14,15)49-31-27-29-47(40-49)60(10,11)67-52(76)66-34-26-24-23-25-33-65;1-33(66-24-25-67-41(62)54-47(6,7)36-20-15-18-34(26-36)45(2,3)52-31-58)29-68-42(63)55-48(8,9)38-22-17-23-39(28-38)49(10,11)56-43(64)69-30-51(14,40(60)61)70-44(65)57-50(12,13)37-21-16-19-35(27-37)46(4,5)53-32-59;1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18;1-5(8)4-9-6(2)3-7;1-5(2-6,3-7)4(8)9/h27-32,39-41,46H,4,19-26,33-38,42-43,65H2,1-3,5-18H3,(H,68,77)(H,69,79)(H,70,80)(H,71,78)(H,72,81)(H,74,75)(H2,66,67,76);15-23,26-28,33H,24-25,29-30H2,1-14H3,(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,60,61);5-8H,1-4H3;5-8H,3-4H2,1-2H3;6-7H,2-3H2,1H3,(H,8,9)/b44-39+;;;;.
What are the key properties of 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid?
3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid has a molecular weight of 2694.33 g/mol, XLogP of 20.95, 68 rotatable bonds, 19 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-6-[2-[2-[2-[3-[2-(6-aminohexylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]-2,5,6-trimethyl-3-methylidenehept-4-en-2-yl]carbamoyloxy]-2-[2-[3-[2-(dibutylcarbamoylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid;1,3-bis(2-isocyanatopropan-2-yl)benzene;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;2-(2-hydroxypropoxy)propan-1-ol;2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]-3-[2-[3-[2-[2-[2-[2-[3-(2-isocyanatopropan-2-yl)phenyl]propan-2-ylcarbamoyloxy]ethoxy]propoxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-2-methylpropanoic acid is sourced from PubChem (CID 157469933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).