lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide

C161H231BBrF3LiN21O24S3 — CID 167613790

About lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide

lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide (PubChem CID 167613790) has the molecular formula C161H231BBrF3LiN21O24S3 and a molecular weight of 3095.59 g/mol. Its IUPAC name is lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide.

Molecular Properties

• Compound Name: lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide
• PubChem CID: 167613790
• Molecular Formula: C161H231BBrF3LiN21O24S3
• Molecular Weight: 3095.59 g/mol
• Exact Mass: 3092.61
• IUPAC Name: lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide
• SMILES: CCn1c(-c2cc(N3CCN4CCOC[C@@H]4C3)cnc2C(C)C)c(CC(C)(C)CC)c2cc(-c3cc(CF)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N4CCC[C@@H](C(=O)OC)N4)c3)ccc21.CCn1c(-c2cc(N3CCN4CCOC[C@@H]4C3)cnc2C(C)C)c(CC(C)(C)CO)c2cc(-c3cc(CF)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N4CCC[C@@H](C(=O)O)N4)c3)ccc21.CCn1c(-c2cc(N3CCN4CCOC[C@@H]4C3)cnc2C(C)C)c(CC(C)(C)COC(C)=O)c2cc(Br)ccc21.COC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2cc(CF)cc(B3OC(C)(C)C(C)(C)O3)c2)NC(=O)OC(C)(C)C)N1.S.S.S.[Li+].[OH-]
• InChI: InChI=1S/C52H72FN7O6.C50H68FN7O7.C32H43BrN4O3.C27H41BFN3O7.Li.H2O.3H2S/c1-11-52(8,9)28-42-40-26-36(15-16-45(40)59(12-2)47(42)41-27-38(30-54-46(41)33(3)4)58-19-18-57-20-21-65-32-39(57)31-58)37-23-34(22-35(24-37)29-53)25-44(55-50(63)66-51(5,6)7)48(61)60-17-13-14-43(56-60)49(62)64-10;1-9-57-43-13-12-34(35-20-32(19-33(21-35)26-51)22-42(53-48(63)65-49(4,5)6)46(60)58-14-10-11-41(54-58)47(61)62)23-38(43)40(25-50(7,8)30-59)45(57)39-24-36(27-52-44(39)31(2)3)56-16-15-55-17-18-64-29-37(55)28-56;1-7-37-29-9-8-23(33)14-26(29)28(16-32(5,6)20-40-22(4)38)31(37)27-15-24(17-34-30(27)21(2)3)36-11-10-35-12-13-39-19-25(35)18-36;1-25(2,3)37-24(35)30-21(22(33)32-11-9-10-20(31-32)23(34)36-8)15-17-12-18(16-29)14-19(13-17)28-38-26(4,5)27(6,7)39-28;;;;;/h15-16,22-24,26-27,30,33,39,43-44,56H,11-14,17-21,25,28-29,31-32H2,1-10H3,(H,55,63);12-13,19-21,23-24,27,31,37,41-42,54,59H,9-11,14-18,22,25-26,28-30H2,1-8H3,(H,53,63)(H,61,62);8-9,14-15,17,21,25H,7,10-13,16,18-20H2,1-6H3;12-14,20-21,31H,9-11,15-16H2,1-8H3,(H,30,35);;4*1H2/q;;;;+1;;;;/p-1/t39-,43-,44-;37-,41-,42-;25-;20-,21-;;;;;/m0000...../s1
• InChIKey: LLEDRHRJLKMYCY-URDBEHJQSA-M
• XLogP: 21.65
• TPSA: 497.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3095.59
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide?

The IUPAC name of lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide (CID 167613790) is lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide.

What is the SMILES notation for lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide?

The canonical SMILES for lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide is CCn1c(-c2cc(N3CCN4CCOC[C@@H]4C3)cnc2C(C)C)c(CC(C)(C)CC)c2cc(-c3cc(CF)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N4CCC[C@@H](C(=O)OC)N4)c3)ccc21.CCn1c(-c2cc(N3CCN4CCOC[C@@H]4C3)cnc2C(C)C)c(CC(C)(C)CO)c2cc(-c3cc(CF)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N4CCC[C@@H](C(=O)O)N4)c3)ccc21.CCn1c(-c2cc(N3CCN4CCOC[C@@H]4C3)cnc2C(C)C)c(CC(C)(C)COC(C)=O)c2cc(Br)ccc21.COC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2cc(CF)cc(B3OC(C)(C)C(C)(C)O3)c2)NC(=O)OC(C)(C)C)N1.S.S.S.[Li+].[OH-].

What is the InChIKey of lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide?

The InChIKey is LLEDRHRJLKMYCY-URDBEHJQSA-M. The full InChI is InChI=1S/C52H72FN7O6.C50H68FN7O7.C32H43BrN4O3.C27H41BFN3O7.Li.H2O.3H2S/c1-11-52(8,9)28-42-40-26-36(15-16-45(40)59(12-2)47(42)41-27-38(30-54-46(41)33(3)4)58-19-18-57-20-21-65-32-39(57)31-58)37-23-34(22-35(24-37)29-53)25-44(55-50(63)66-51(5,6)7)48(61)60-17-13-14-43(56-60)49(62)64-10;1-9-57-43-13-12-34(35-20-32(19-33(21-35)26-51)22-42(53-48(63)65-49(4,5)6)46(60)58-14-10-11-41(54-58)47(61)62)23-38(43)40(25-50(7,8)30-59)45(57)39-24-36(27-52-44(39)31(2)3)56-16-15-55-17-18-64-29-37(55)28-56;1-7-37-29-9-8-23(33)14-26(29)28(16-32(5,6)20-40-22(4)38)31(37)27-15-24(17-34-30(27)21(2)3)36-11-10-35-12-13-39-19-25(35)18-36;1-25(2,3)37-24(35)30-21(22(33)32-11-9-10-20(31-32)23(34)36-8)15-17-12-18(16-29)14-19(13-17)28-38-26(4,5)27(6,7)39-28;;;;;/h15-16,22-24,26-27,30,33,39,43-44,56H,11-14,17-21,25,28-29,31-32H2,1-10H3,(H,55,63);12-13,19-21,23-24,27,31,37,41-42,54,59H,9-11,14-18,22,25-26,28-30H2,1-8H3,(H,53,63)(H,61,62);8-9,14-15,17,21,25H,7,10-13,16,18-20H2,1-6H3;12-14,20-21,31H,9-11,15-16H2,1-8H3,(H,30,35);;4*1H2/q;;;;+1;;;;/p-1/t39-,43-,44-;37-,41-,42-;25-;20-,21-;;;;;/m0000...../s1.

What are the key properties of lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide?

lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide has a molecular weight of 3095.59 g/mol, XLogP of 21.65, 43 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-5-bromo-1-ethylindol-3-yl]-2,2-dimethylpropyl] acetate;(3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-1-ethyl-3-(3-hydroxy-2,2-dimethylpropyl)indol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylic acid;methyl (3S)-1-[(2S)-3-[3-[2-[5-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-propan-2-yl-3-pyridinyl]-3-(2,2-dimethylbutyl)-1-ethylindol-5-yl]-5-(fluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;methyl (3S)-1-[(2S)-3-[3-(fluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]diazinane-3-carboxylate;sulfane;hydroxide is sourced from PubChem (CID 167613790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).