tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen

C115H146N14O13 — CID 159571721

IUPACtert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen
SMILESC.C.C.CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O)c1cccnc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.CNCc1cccnc1.[H][H]
InChIInChI=1S/C30H36N4O4.2C26H29N3O2.C23H28N2O5.C7H10N2.3CH4.H2/c1-30(2,3)38-29(37)34-25(13-14-26(34)27(35)24-8-6-16-32-19-24)17-21-9-11-23(12-10-21)28(36)33(4)20-22-7-5-15-31-18-22;2*1-29(18-21-4-2-12-27-16-21)26(31)22-9-6-19(7-10-22)14-20-8-11-23(15-20)25(30)24-5-3-13-28-17-24;1-23(2,3)30-22(29)25-18(13-15-6-8-16(9-7-15)21(27)28)10-11-19(25)20(26)17-5-4-12-24-14-17;1-8-5-7-3-2-4-9-6-7;;;;/h5-12,15-16,18-19,25-27,35H,13-14,17,20H2,1-4H3;2*2-7,9-10,12-13,16-17,20,23,25,30H,8,11,14-15,18H2,1H3;4-9,12,14,18-20,26H,10-11,13H2,1-3H3,(H,27,28);2-4,6,8H,5H2,1H3;3*1H4;1H/t25-,26+,27+;2*20-,23-,25-;18-,19+,20+;;;;;/m0000...../s1
InChIKeyMHXARIWRNKXFCA-RRCQGGQNSA-N
MW1932.52 g/mol
LogP20.45
Rot. Bonds28

About tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen

tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen (PubChem CID 159571721) has the molecular formula C115H146N14O13 and a molecular weight of 1932.52 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen
PubChem CID159571721
Molecular FormulaC115H146N14O13
Molecular Weight1932.52 g/mol
Exact Mass1931.12
IUPAC Nametert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen
SMILESC.C.C.CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O)c1cccnc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.CNCc1cccnc1.[H][H]
InChIInChI=1S/C30H36N4O4.2C26H29N3O2.C23H28N2O5.C7H10N2.3CH4.H2/c1-30(2,3)38-29(37)34-25(13-14-26(34)27(35)24-8-6-16-32-19-24)17-21-9-11-23(12-10-21)28(36)33(4)20-22-7-5-15-31-18-22;2*1-29(18-21-4-2-12-27-16-21)26(31)22-9-6-19(7-10-22)14-20-8-11-23(15-20)25(30)24-5-3-13-28-17-24;1-23(2,3)30-22(29)25-18(13-15-6-8-16(9-7-15)21(27)28)10-11-19(25)20(26)17-5-4-12-24-14-17;1-8-5-7-3-2-4-9-6-7;;;;/h5-12,15-16,18-19,25-27,35H,13-14,17,20H2,1-4H3;2*2-7,9-10,12-13,16-17,20,23,25,30H,8,11,14-15,18H2,1H3;4-9,12,14,18-20,26H,10-11,13H2,1-3H3,(H,27,28);2-4,6,8H,5H2,1H3;3*1H4;1H/t25-,26+,27+;2*20-,23-,25-;18-,19+,20+;;;;;/m0000...../s1
InChIKeyMHXARIWRNKXFCA-RRCQGGQNSA-N
XLogP20.45
TPSA353.38 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001932.52
LogP ≤ 520.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen with MolForge

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Related Compounds

Tert-butyl 2-[(6-cyclopropyl-3-pyridinyl)-hydroxymethyl]-5-[[4-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 123923838
tert-butyl (2S,5R)-2-[[4-[(2-fluoro-3-pyridinyl)methyl-(2-hydroxyethyl)carbamoyl]phenyl]methyl]-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidine-1-carboxylate;2-[(2-fluoro-3-pyridinyl)methylamino]ethanol;bis(N-[(2-fluoro-3-pyridinyl)methyl]-N-(2-hydroxyethyl)-4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;molecular hydrogen
CID 157220086
[3-[(3S)-3,4-dimethylpentanoyl]pyridin-1-ium-1-yl]methyl N-[(2S)-1-phenylpropan-2-yl]carbamate;[3-[(3S)-4-hydroxy-3-methylbutanoyl]pyridin-1-ium-1-yl]methyl N-[(2S)-1-phenylpropan-2-yl]carbamate;[3-(3-methylbutanoyl)pyridin-1-ium-1-yl]methyl N-[(2S)-1-phenylpropan-2-yl]carbamate;[(2R)-2-[[1-[[(3S)-3-methyl-4-phenylbutanoyl]oxymethyl]pyridin-1-ium-3-carbonyl]amino]propyl] 1-[[(2S)-1-phenylpropan-2-yl]carbamoyloxymethyl]pyridin-1-ium-3-carboxylate;(3-methylpyridin-1-ium-1-yl)methyl N-[(2S)-1-phenylpropan-2-yl]carbamate
CID 158076745
tert-butyl (2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5-[[4-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl-methylcarbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-N-methylbenzamide;methane;methyl 5-[[[4-[[(2S,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoyl]-methylamino]methyl]pyridine-3-carboxylate
CID 158255272
CID 158328149
CID 158328149
tert-butyl (2R,5S)-2-[(R)-[tert-butyl(methyl)silyl]oxy-phenylmethyl]-5-[[4-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl-methylcarbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-[[5-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-N-methylbenzamide);methane;methyl 5-[[[4-[[(2S,5R)-5-[(R)-[tert-butyl(methyl)silyl]oxy-phenylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoyl]-methylamino]methyl]pyridine-3-carboxylate
CID 158429360
tert-butyl (2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-5-[[4-[methyl-[1-(5-methyl-1H-pyrazol-3-yl)propyl]carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-pyridin-3-ylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;4-[[(3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propyl]benzamide;methane;N-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-amine;molecular hydrogen
CID 158462772
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-5-pyridin-4-yl-2H-pyrrole-3-carboxamide;N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-propan-2-ylbenzamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 158468899
CID 158514709
CID 158514709
tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide;4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen
CID 158610851
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;4-[[(3S)-3-[(1S)-1-(6-chloro-5-methyl-3-pyridinyl)ethyl]cyclopentyl]methyl]benzoic acid;4-[[(1R,3S)-3-[(S)-(6-chloro-5-methyl-3-pyridinyl)-hydroxymethyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide;N-methyl-1-pyridin-3-ylmethanamine;sulfane
CID 158617924
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(1R,3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[[(3S)-3-[(S)-hydroxy(phenyl)methyl]cyclopentyl]methyl]-N-methylbenzamide;N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-N-methyl-4-[[(3S)-3-[(1S)-1-phenylethyl]cyclopentyl]methyl]benzamide;N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 158620515

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen?
The IUPAC name of tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen (CID 159571721) is tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen.
What is the SMILES notation for tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen?
The canonical SMILES for tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen is C.C.C.CC(C)(C)OC(=O)N1[C@H](Cc2ccc(C(=O)O)cc2)CC[C@@H]1[C@H](O)c1cccnc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)C2)cc1.CN(Cc1cccnc1)C(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2C(=O)OC(C)(C)C)cc1.CNCc1cccnc1.[H][H].
What is the InChIKey of tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen?
The InChIKey is MHXARIWRNKXFCA-RRCQGGQNSA-N. The full InChI is InChI=1S/C30H36N4O4.2C26H29N3O2.C23H28N2O5.C7H10N2.3CH4.H2/c1-30(2,3)38-29(37)34-25(13-14-26(34)27(35)24-8-6-16-32-19-24)17-21-9-11-23(12-10-21)28(36)33(4)20-22-7-5-15-31-18-22;2*1-29(18-21-4-2-12-27-16-21)26(31)22-9-6-19(7-10-22)14-20-8-11-23(15-20)25(30)24-5-3-13-28-17-24;1-23(2,3)30-22(29)25-18(13-15-6-8-16(9-7-15)21(27)28)10-11-19(25)20(26)17-5-4-12-24-14-17;1-8-5-7-3-2-4-9-6-7;;;;/h5-12,15-16,18-19,25-27,35H,13-14,17,20H2,1-4H3;2*2-7,9-10,12-13,16-17,20,23,25,30H,8,11,14-15,18H2,1H3;4-9,12,14,18-20,26H,10-11,13H2,1-3H3,(H,27,28);2-4,6,8H,5H2,1H3;3*1H4;1H/t25-,26+,27+;2*20-,23-,25-;18-,19+,20+;;;;;/m0000...../s1.
What are the key properties of tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen?
tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen has a molecular weight of 1932.52 g/mol, XLogP of 20.45, 28 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[[4-[methyl(pyridin-3-ylmethyl)carbamoyl]phenyl]methyl]pyrrolidine-1-carboxylate;bis(4-[[(1R,3S)-3-[(S)-hydroxy(pyridin-3-yl)methyl]cyclopentyl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide);4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]benzoic acid;methane;N-methyl-1-pyridin-3-ylmethanamine;molecular hydrogen is sourced from PubChem (CID 159571721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).