2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride

C152H250Cl9F9IN29O28 — CID 158948707

About 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride

2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride (PubChem CID 158948707) has the molecular formula C152H250Cl9F9IN29O28 and a molecular weight of 3548.81 g/mol. Its IUPAC name is 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride.

Molecular Properties

• Compound Name: 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride
• PubChem CID: 158948707
• Molecular Formula: C152H250Cl9F9IN29O28
• Molecular Weight: 3548.81 g/mol
• Exact Mass: 3542.51
• IUPAC Name: 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride
• SMILES: C1CN1.CC(C)(C)OC(=O)N1CC1.CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCN(CC[N+](C)(C)C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.CC(C)(C)OC(=O)NCCNCC[N+](C)(C)C.CC(C)(C)OC(=O)NCC[N+](C)(C)C.CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.CCOC(C)=O.CCOC(C)=O.C[N+](C)(C)CCN.C[N+](C)(C)CCN(CC[NH3+])C(=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1c[nH+]c2ccccc2c1.Cl.Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[I-]
• InChI: InChI=1S/C41H56F3N7O7.C31H40F3N7O3.C29H31F3N4O6.C12H27N3O2.C10H22N2O2.C7H16N2O2.C7H13NO2.C5H15N2.2C4H8O2.C2H5N.9ClH.HI/c1-39(2,3)57-37(55)45-20-21-50(22-23-51(7,8)9)34(52)19-18-32(49-38(56)58-40(4,5)6)35(53)48-33(24-27-14-16-29(17-15-27)41(42,43)44)36(54)47-30-25-28-12-10-11-13-31(28)46-26-30;1-41(2,3)17-16-40(15-14-35)28(42)13-12-25(36)29(43)39-27(18-21-8-10-23(11-9-21)31(32,33)34)30(44)38-24-19-22-6-4-5-7-26(22)37-20-24;1-28(2,3)42-27(41)36-22(12-13-24(37)38)25(39)35-23(14-17-8-10-19(11-9-17)29(30,31)32)26(40)34-20-15-18-6-4-5-7-21(18)33-16-20;1-12(2,3)17-11(16)14-8-7-13-9-10-15(4,5)6;1-10(2,3)14-9(13)11-7-8-12(4,5)6;1-7(2,3)11-6(10)9-5-4-8;1-7(2,3)10-6(9)8-4-5-8;1-7(2,3)5-4-6;2*1-3-6-4(2)5;1-2-3-1;;;;;;;;;;/h10-17,25-26,32-33H,18-24H2,1-9H3,(H3-,45,47,48,49,53,54,55,56);4-11,19-20,25,27H,12-18,35-36H2,1-3H3,(H-,38,39,43,44);4-11,15-16,22-23H,12-14H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)(H,37,38);13H,7-10H2,1-6H3;7-8H2,1-6H3;4-5,8H2,1-3H3,(H,9,10);4-5H2,1-3H3;4-6H2,1-3H3;2*3H2,1-2H3;3H,1-2H2;10*1H/q;;;;;;;+1;;;;;;;;;;;;;/p-1/t32-,33-;25-,27-;22-,23-;;;;;;;;;;;;;;;;;;/m000................../s1
• InChIKey: PWTLMELASULEDW-NTXYXJKQSA-M
• XLogP: -8.18
• TPSA: 745.62 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 33
• Rotatable Bonds: 55
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3548.81
LogP ≤ 5	-8.18
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride?

The IUPAC name of 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride (CID 158948707) is 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride.

What is the SMILES notation for 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride?

The canonical SMILES for 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride is C1CN1.CC(C)(C)OC(=O)N1CC1.CC(C)(C)OC(=O)NCCN.CC(C)(C)OC(=O)NCCN(CC[N+](C)(C)C)C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.CC(C)(C)OC(=O)NCCNCC[N+](C)(C)C.CC(C)(C)OC(=O)NCC[N+](C)(C)C.CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1.CCOC(C)=O.CCOC(C)=O.C[N+](C)(C)CCN.C[N+](C)(C)CCN(CC[NH3+])C(=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1c[nH+]c2ccccc2c1.Cl.Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[I-].

What is the InChIKey of 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride?

The InChIKey is PWTLMELASULEDW-NTXYXJKQSA-M. The full InChI is InChI=1S/C41H56F3N7O7.C31H40F3N7O3.C29H31F3N4O6.C12H27N3O2.C10H22N2O2.C7H16N2O2.C7H13NO2.C5H15N2.2C4H8O2.C2H5N.9ClH.HI/c1-39(2,3)57-37(55)45-20-21-50(22-23-51(7,8)9)34(52)19-18-32(49-38(56)58-40(4,5)6)35(53)48-33(24-27-14-16-29(17-15-27)41(42,43)44)36(54)47-30-25-28-12-10-11-13-31(28)46-26-30;1-41(2,3)17-16-40(15-14-35)28(42)13-12-25(36)29(43)39-27(18-21-8-10-23(11-9-21)31(32,33)34)30(44)38-24-19-22-6-4-5-7-26(22)37-20-24;1-28(2,3)42-27(41)36-22(12-13-24(37)38)25(39)35-23(14-17-8-10-19(11-9-17)29(30,31)32)26(40)34-20-15-18-6-4-5-7-21(18)33-16-20;1-12(2,3)17-11(16)14-8-7-13-9-10-15(4,5)6;1-10(2,3)14-9(13)11-7-8-12(4,5)6;1-7(2,3)11-6(10)9-5-4-8;1-7(2,3)10-6(9)8-4-5-8;1-7(2,3)5-4-6;2*1-3-6-4(2)5;1-2-3-1;;;;;;;;;;/h10-17,25-26,32-33H,18-24H2,1-9H3,(H3-,45,47,48,49,53,54,55,56);4-11,19-20,25,27H,12-18,35-36H2,1-3H3,(H-,38,39,43,44);4-11,15-16,22-23H,12-14H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)(H,37,38);13H,7-10H2,1-6H3;7-8H2,1-6H3;4-5,8H2,1-3H3,(H,9,10);4-5H2,1-3H3;4-6H2,1-3H3;2*3H2,1-2H3;3H,1-2H2;10*1H/q;;;;;;;+1;;;;;;;;;;;;;/p-1/t32-,33-;25-,27-;22-,23-;;;;;;;;;;;;;;;;;;/m000................../s1.

What are the key properties of 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride?

2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride has a molecular weight of 3548.81 g/mol, XLogP of -8.18, 55 rotatable bonds, 19 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethyl(trimethyl)azanium;2-[2-azaniumylethyl-[(4S)-4-azaniumyl-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl-trimethylazanium;aziridine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl aziridine-1-carboxylate;ethyl acetate;(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoic acid;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]azanium;trimethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]azanium;trimethyl-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentanoyl]amino]ethyl]azanium;heptachloride;iodide;dihydrochloride is sourced from PubChem (CID 158948707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).