(2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane

C111H143F3N12O16 — CID 158169828

IUPAC(2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane
SMILESC.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(N2CCOC(C)(C)C2)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@H](C(F)(F)F)CC1=O)c1cncc(-c2c(C)cccc2C)c1.COC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(-c2c(C)cccc2C)c1)n1ccc(C)cc1=O.Cc1cccc(C)c1-c1cncc([C@@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCCCC2=O)c1
InChIInChI=1S/C29H36F3N3O3.C27H38N4O4.C27H35N3O4.C27H30N2O5.CH4/c1-17(2)11-25(35-10-9-23(14-26(35)37)29(30,31)32)28(38)34-24(12-20(5)36)21-13-22(16-33-15-21)27-18(3)7-6-8-19(27)4;1-18(2)11-24(31-8-7-19(3)12-25(31)33)26(34)29-23(13-20(4)32)21-14-22(16-28-15-21)30-9-10-35-27(5,6)17-30;1-17(2)12-23(30-11-6-5-10-24(30)31)27(34)29-22(14-25(32)33)20-13-21(16-28-15-20)26-18(3)8-7-9-19(26)4;1-17-11-12-29(24(30)13-17)23(16-34-4)27(33)28-22(15-25(31)32)20-9-6-10-21(14-20)26-18(2)7-5-8-19(26)3;/h6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);7-8,12,14-16,18,23-24H,9-11,13,17H2,1-6H3,(H,29,34);7-9,13,15-17,22-23H,5-6,10-12,14H2,1-4H3,(H,29,34)(H,32,33);5-14,22-23H,15-16H2,1-4H3,(H,28,33)(H,31,32);1H4/t23-,24-,25-;23-,24+;22-,23?;22-,23-;/m0010./s1
InChIKeyFXHUSFPVBDHDDW-AZGVRASESA-N
MW1958.43 g/mol
LogP18.33
Rot. Bonds36

About (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane

(2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane (PubChem CID 158169828) has the molecular formula C111H143F3N12O16 and a molecular weight of 1958.43 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane
PubChem CID158169828
Molecular FormulaC111H143F3N12O16
Molecular Weight1958.43 g/mol
Exact Mass1957.07
IUPAC Name(2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane
SMILESC.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(N2CCOC(C)(C)C2)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@H](C(F)(F)F)CC1=O)c1cncc(-c2c(C)cccc2C)c1.COC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(-c2c(C)cccc2C)c1)n1ccc(C)cc1=O.Cc1cccc(C)c1-c1cncc([C@@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCCCC2=O)c1
InChIInChI=1S/C29H36F3N3O3.C27H38N4O4.C27H35N3O4.C27H30N2O5.CH4/c1-17(2)11-25(35-10-9-23(14-26(35)37)29(30,31)32)28(38)34-24(12-20(5)36)21-13-22(16-33-15-21)27-18(3)7-6-8-19(27)4;1-18(2)11-24(31-8-7-19(3)12-25(31)33)26(34)29-23(13-20(4)32)21-14-22(16-28-15-21)30-9-10-35-27(5,6)17-30;1-17(2)12-23(30-11-6-5-10-24(30)31)27(34)29-22(14-25(32)33)20-13-21(16-28-15-20)26-18(3)8-7-9-19(26)4;1-17-11-12-29(24(30)13-17)23(16-34-4)27(33)28-22(15-25(31)32)20-9-6-10-21(14-20)26-18(2)7-5-8-19(26)3;/h6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);7-8,12,14-16,18,23-24H,9-11,13,17H2,1-6H3,(H,29,34);7-9,13,15-17,22-23H,5-6,10-12,14H2,1-4H3,(H,29,34)(H,32,33);5-14,22-23H,15-16H2,1-4H3,(H,28,33)(H,31,32);1H4/t23-,24-,25-;23-,24+;22-,23?;22-,23-;/m0010./s1
InChIKeyFXHUSFPVBDHDDW-AZGVRASESA-N
XLogP18.33
TPSA370.13 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001958.43
LogP ≤ 518.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane with MolForge

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Launch Full Analysis

Related Compounds

[(3R,6R)-6-[2-[3-[[(2S,3S)-2-amino-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl N-(2,2,2-trifluoroethyl)carbamate;methyl N-[1-(3,5-difluorophenyl)-1-(4-fluorophenyl)-3-[[5-fluoro-4-[2-[(2R,5R)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-2-yl]ethyl]-3-pyridinyl]amino]-3-oxopropan-2-yl]carbamate
CID 122613742
(3S)-3-[5-[2-[2-[1-[(1S)-2-[[(1S)-2-carboxy-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-1-(4-methylphenyl)-2-oxoethyl]-6-oxopiperidin-3-yl]ethyl]-6-methylphenyl]-3-pyridinyl]-3-[[(2R)-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanoyl]amino]propanoic acid
CID 146182706
(3S)-3-[[(2S)-5-[(3S)-3-[5-(2,2-dimethylmorpholin-4-yl)pyridin-3-yl]-3-[[(2R)-4-methyl-2-(4-methyl-2-oxopyridin-1-yl)pentanoyl]amino]propanoyl]oxy-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanoyl]amino]-3-[5-(2,6-dimethylphenyl)pyridin-3-yl]propanoic acid
CID 146182760
(3S)-3-[[(2R)-5-[(3S)-3-[[(2R)-5-[3-[3-[(1S)-2-carboxy-1-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]-4-methylphenyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]-3-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]propanoyl]oxy-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]-3-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]propanoic acid
CID 146182993
(3S)-3-[[(2S)-2-[5-[2-[2-[2-[2-[1-[(2S)-1-[[(1S)-2-carboxy-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-6-oxo-3-pyridinyl]ethylamino]ethoxy]ethyl-methylamino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 146183000
(3S)-3-(3-tert-butylphenyl)-3-[[4-methyl-5-[(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-3-pyridinyl]propanoyl]oxy-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 146183018
(3S)-3-[[(2S)-5-[(3S)-3-[[2-(4-cyclopropyl-2-oxo-1-pyridinyl)-4-methylpentanoyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoyl]oxy-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]-3-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 146183060
(3S)-3-[5-[3-[1-[1-[[(1S)-2-carboxy-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-2-oxo-4-pyridinyl]-2,6-dimethylphenyl]-3-pyridinyl]-3-[[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 146183494
(3S)-3-[[(2S)-2-[4-[[3-[5-[(1S)-2-carboxy-1-[[(2R)-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]propanoic acid
CID 146183502
(3S)-3-[[5-[(3S)-3-[5-(2-cyanophenyl)pyridin-3-yl]-3-[[4-methyl-2-(4-methyl-2-oxopyridin-1-yl)pentanoyl]amino]propanoyl]oxy-4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]pyridin-3-yl]propanoic acid
CID 146186665
(3S)-3-[[(2R)-2-[5-[2-[2-[5-[(1S)-2-carboxy-1-[[(2S)-3-methyl-2-(4-methyl-2-oxo-1-pyridinyl)butanoyl]amino]ethyl]-3-pyridinyl]-3-methylphenyl]ethyl]-2-oxopiperidin-1-yl]-2-(3,4-difluorophenyl)acetyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 146189253
(3S)-3-[5-[(2S)-3-[1-[1-[[(1S)-2-carboxy-1-[5-[2-methyl-6-(trifluoromethyl)phenyl]-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxopiperidin-4-yl]-2-methylpiperidin-1-yl]-3-pyridinyl]-3-[[4-methyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)pentanoyl]amino]propanoic acid
CID 146189390

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane?
The IUPAC name of (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane (CID 158169828) is (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane.
What is the SMILES notation for (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane?
The canonical SMILES for (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane is C.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(N2CCOC(C)(C)C2)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@H](C(F)(F)F)CC1=O)c1cncc(-c2c(C)cccc2C)c1.COC[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccc(-c2c(C)cccc2C)c1)n1ccc(C)cc1=O.Cc1cccc(C)c1-c1cncc([C@@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCCCC2=O)c1.
What is the InChIKey of (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane?
The InChIKey is FXHUSFPVBDHDDW-AZGVRASESA-N. The full InChI is InChI=1S/C29H36F3N3O3.C27H38N4O4.C27H35N3O4.C27H30N2O5.CH4/c1-17(2)11-25(35-10-9-23(14-26(35)37)29(30,31)32)28(38)34-24(12-20(5)36)21-13-22(16-33-15-21)27-18(3)7-6-8-19(27)4;1-18(2)11-24(31-8-7-19(3)12-25(31)33)26(34)29-23(13-20(4)32)21-14-22(16-28-15-21)30-9-10-35-27(5,6)17-30;1-17(2)12-23(30-11-6-5-10-24(30)31)27(34)29-22(14-25(32)33)20-13-21(16-28-15-20)26-18(3)8-7-9-19(26)4;1-17-11-12-29(24(30)13-17)23(16-34-4)27(33)28-22(15-25(31)32)20-9-6-10-21(14-20)26-18(2)7-5-8-19(26)3;/h6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);7-8,12,14-16,18,23-24H,9-11,13,17H2,1-6H3,(H,29,34);7-9,13,15-17,22-23H,5-6,10-12,14H2,1-4H3,(H,29,34)(H,32,33);5-14,22-23H,15-16H2,1-4H3,(H,28,33)(H,31,32);1H4/t23-,24-,25-;23-,24+;22-,23?;22-,23-;/m0010./s1.
What are the key properties of (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane?
(2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane has a molecular weight of 1958.43 g/mol, XLogP of 18.33, 36 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[(2S)-3-methoxy-2-(4-methyl-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid;(3R)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4S)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;methane is sourced from PubChem (CID 158169828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).