lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide

C114H170ClLiN8O20Si3 — CID 158897272

IUPAClithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide
SMILESC.CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1cccnc1.COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3ccc(Cl)nc3)N2C(=O)OC(C)(C)C)cc1.COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.C[C@H](c1cccnc1)[C@H]1CC[C@@H](Cc2ccc(C(=O)O)cc2)N1C(=O)OC(C)(C)C.[H][H].[H][H].[H][H].[Li+].[OH-]
InChIInChI=1S/C30H43ClN2O5Si.C30H44N2O5Si.C29H42N2O5Si.C24H30N2O4.CH4.Li.H2O.3H2/c1-29(2,3)37-28(35)33-23(18-20-10-12-21(13-11-20)27(34)36-7)15-16-24(33)26(22-14-17-25(31)32-19-22)38-39(8,9)30(4,5)6;1-29(2,3)36-28(34)32-24(19-21-12-14-22(15-13-21)27(33)35-7)16-17-25(32)26(23-11-10-18-31-20-23)37-38(8,9)30(4,5)6;1-28(2,3)35-27(34)31-23(18-20-11-13-21(14-12-20)26(32)33)15-16-24(31)25(22-10-9-17-30-19-22)36-37(7,8)29(4,5)6;1-16(19-6-5-13-25-15-19)21-12-11-20(26(21)23(29)30-24(2,3)4)14-17-7-9-18(10-8-17)22(27)28;;;;;;/h10-14,17,19,23-24,26H,15-16,18H2,1-9H3;10-15,18,20,24-26H,16-17,19H2,1-9H3;9-14,17,19,23-25H,15-16,18H2,1-8H3,(H,32,33);5-10,13,15-16,20-21H,11-12,14H2,1-4H3,(H,27,28);1H4;;1H2;3*1H/q;;;;;+1;;;;/p-1/t23-,24+,26+;24-,25+,26+;23-,24+,25+;16-,20+,21-;;;;;;/m0001....../s1
InChIKeyJEZJQZRTYJGDKC-KUKLZHNISA-M
MW2099.30 g/mol
LogP24.49
Rot. Bonds26

About lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide

lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide (PubChem CID 158897272) has the molecular formula C114H170ClLiN8O20Si3 and a molecular weight of 2099.30 g/mol. Its IUPAC name is lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide.

Molecular Properties

Compound Namelithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide
PubChem CID158897272
Molecular FormulaC114H170ClLiN8O20Si3
Molecular Weight2099.30 g/mol
Exact Mass2097.17
IUPAC Namelithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide
SMILESC.CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1cccnc1.COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3ccc(Cl)nc3)N2C(=O)OC(C)(C)C)cc1.COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.C[C@H](c1cccnc1)[C@H]1CC[C@@H](Cc2ccc(C(=O)O)cc2)N1C(=O)OC(C)(C)C.[H][H].[H][H].[H][H].[Li+].[OH-]
InChIInChI=1S/C30H43ClN2O5Si.C30H44N2O5Si.C29H42N2O5Si.C24H30N2O4.CH4.Li.H2O.3H2/c1-29(2,3)37-28(35)33-23(18-20-10-12-21(13-11-20)27(34)36-7)15-16-24(33)26(22-14-17-25(31)32-19-22)38-39(8,9)30(4,5)6;1-29(2,3)36-28(34)32-24(19-21-12-14-22(15-13-21)27(33)35-7)16-17-25(32)26(23-11-10-18-31-20-23)37-38(8,9)30(4,5)6;1-28(2,3)35-27(34)31-23(18-20-11-13-21(14-12-20)26(32)33)15-16-24(31)25(22-10-9-17-30-19-22)36-37(7,8)29(4,5)6;1-16(19-6-5-13-25-15-19)21-12-11-20(26(21)23(29)30-24(2,3)4)14-17-7-9-18(10-8-17)22(27)28;;;;;;/h10-14,17,19,23-24,26H,15-16,18H2,1-9H3;10-15,18,20,24-26H,16-17,19H2,1-9H3;9-14,17,19,23-25H,15-16,18H2,1-8H3,(H,32,33);5-10,13,15-16,20-21H,11-12,14H2,1-4H3,(H,27,28);1H4;;1H2;3*1H/q;;;;;+1;;;;/p-1/t23-,24+,26+;24-,25+,26+;23-,24+,25+;16-,20+,21-;;;;;;/m0001....../s1
InChIKeyJEZJQZRTYJGDKC-KUKLZHNISA-M
XLogP24.49
TPSA354.61 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.30
LogP ≤ 524.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide with MolForge

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Related Compounds

(2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 88536923
4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid
CID 140734299
tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[[4-[(2-fluoro-3-pyridinyl)methyl-methylcarbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate
CID 140734320
(2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 67972110
tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5-[[4-[[(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carbonyl]amino]phenyl]methyl]pyrrolidine-1-carboxylate
CID 66924459
(2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-nitrophenyl)methyl]pyrrolidine-1-carboxylic acid
CID 89049328
tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5-[[4-[methyl(2-pyridin-2-ylethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate
CID 86670468
tert-butyl (2R,5S)-2-[(1R)-1-(6-chloro-5-methyl-3-pyridinyl)ethyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate
CID 122489277
tert-butyl (2R,5S)-2-[[4-[(6-amino-2-pyridinyl)methyl-methylcarbamoyl]phenyl]methyl]-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pyrrolidine-1-carboxylate
CID 86670472
tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[[(2S)-2-methylbutanoyl]amino]phenyl]methyl]pyrrolidine-1-carboxylate
CID 58125229
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxy-[(7Z)-2-(2-cyclohepta-1,5-dien-1-ylpropan-2-ylimino)-3,6-dihydro-1H-azocin-5-yl]methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137122392
CID 161342763
CID 161342763

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide?
The IUPAC name of lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide (CID 158897272) is lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide.
What is the SMILES notation for lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide?
The canonical SMILES for lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide is C.CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)c1cccnc1.COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3ccc(Cl)nc3)N2C(=O)OC(C)(C)C)cc1.COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.C[C@H](c1cccnc1)[C@H]1CC[C@@H](Cc2ccc(C(=O)O)cc2)N1C(=O)OC(C)(C)C.[H][H].[H][H].[H][H].[Li+].[OH-].
What is the InChIKey of lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide?
The InChIKey is JEZJQZRTYJGDKC-KUKLZHNISA-M. The full InChI is InChI=1S/C30H43ClN2O5Si.C30H44N2O5Si.C29H42N2O5Si.C24H30N2O4.CH4.Li.H2O.3H2/c1-29(2,3)37-28(35)33-23(18-20-10-12-21(13-11-20)27(34)36-7)15-16-24(33)26(22-14-17-25(31)32-19-22)38-39(8,9)30(4,5)6;1-29(2,3)36-28(34)32-24(19-21-12-14-22(15-13-21)27(33)35-7)16-17-25(32)26(23-11-10-18-31-20-23)37-38(8,9)30(4,5)6;1-28(2,3)35-27(34)31-23(18-20-11-13-21(14-12-20)26(32)33)15-16-24(31)25(22-10-9-17-30-19-22)36-37(7,8)29(4,5)6;1-16(19-6-5-13-25-15-19)21-12-11-20(26(21)23(29)30-24(2,3)4)14-17-7-9-18(10-8-17)22(27)28;;;;;;/h10-14,17,19,23-24,26H,15-16,18H2,1-9H3;10-15,18,20,24-26H,16-17,19H2,1-9H3;9-14,17,19,23-25H,15-16,18H2,1-8H3,(H,32,33);5-10,13,15-16,20-21H,11-12,14H2,1-4H3,(H,27,28);1H4;;1H2;3*1H/q;;;;;+1;;;;/p-1/t23-,24+,26+;24-,25+,26+;23-,24+,25+;16-,20+,21-;;;;;;/m0001....../s1.
What are the key properties of lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide?
lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide has a molecular weight of 2099.30 g/mol, XLogP of 24.49, 26 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloro-3-pyridinyl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate;4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;4-[[(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen;hydroxide is sourced from PubChem (CID 158897272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).