(3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide

C115H131ClF4N12O14 — CID 159439899

IUPAC(3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cc(F)cc2C)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C2CC2)cc1=O)c1cncc(-c2c(C)cccc2C)c1.Cc1cccc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)C(CC(C)C)n2cc(C(F)(F)F)ccc2=O)c1.Cc1ccn([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3Cl)c2)c(=O)c1
InChIInChI=1S/C31H37N3O3.C29H34FN3O3.C28H30F3N3O4.C27H30ClN3O4/c1-19(2)13-28(34-12-11-24(16-29(34)36)23-9-10-23)31(37)33-27(14-22(5)35)25-15-26(18-32-17-25)30-20(3)7-6-8-21(30)4;1-17(2)9-26(33-8-7-18(3)10-27(33)35)29(36)32-25(13-21(6)34)22-14-23(16-31-15-22)28-19(4)11-24(30)12-20(28)5;1-16(2)10-23(34-15-21(28(29,30)31)8-9-24(34)35)27(38)33-22(12-25(36)37)19-11-20(14-32-13-19)26-17(3)6-5-7-18(26)4;1-16(2)10-23(31-9-8-17(3)11-24(31)32)27(35)30-22(13-25(33)34)19-12-20(15-29-14-19)26-18(4)6-5-7-21(26)28/h6-8,11-12,15-19,23,27-28H,9-10,13-14H2,1-5H3,(H,33,37);7-8,10-12,14-17,25-26H,9,13H2,1-6H3,(H,32,36);5-9,11,13-16,22-23H,10,12H2,1-4H3,(H,33,38)(H,36,37);5-9,11-12,14-16,22-23H,10,13H2,1-4H3,(H,30,35)(H,33,34)/t27-,28?;25-,26?;22-,23?;22-,23-/m0000/s1
InChIKeyLSAPLEQUWVKMGX-DOWFLVLHSA-N
MW2016.83 g/mol
LogP21.79
Rot. Bonds37

About (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide

(3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide (PubChem CID 159439899) has the molecular formula C115H131ClF4N12O14 and a molecular weight of 2016.83 g/mol. Its IUPAC name is (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide.

Molecular Properties

Compound Name(3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
PubChem CID159439899
Molecular FormulaC115H131ClF4N12O14
Molecular Weight2016.83 g/mol
Exact Mass2014.95
IUPAC Name(3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cc(F)cc2C)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C2CC2)cc1=O)c1cncc(-c2c(C)cccc2C)c1.Cc1cccc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)C(CC(C)C)n2cc(C(F)(F)F)ccc2=O)c1.Cc1ccn([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3Cl)c2)c(=O)c1
InChIInChI=1S/C31H37N3O3.C29H34FN3O3.C28H30F3N3O4.C27H30ClN3O4/c1-19(2)13-28(34-12-11-24(16-29(34)36)23-9-10-23)31(37)33-27(14-22(5)35)25-15-26(18-32-17-25)30-20(3)7-6-8-21(30)4;1-17(2)9-26(33-8-7-18(3)10-27(33)35)29(36)32-25(13-21(6)34)22-14-23(16-31-15-22)28-19(4)11-24(30)12-20(28)5;1-16(2)10-23(34-15-21(28(29,30)31)8-9-24(34)35)27(38)33-22(12-25(36)37)19-11-20(14-32-13-19)26-17(3)6-5-7-18(26)4;1-16(2)10-23(31-9-8-17(3)11-24(31)32)27(35)30-22(13-25(33)34)19-12-20(15-29-14-19)26-18(4)6-5-7-21(26)28/h6-8,11-12,15-19,23,27-28H,9-10,13-14H2,1-5H3,(H,33,37);7-8,10-12,14-17,25-26H,9,13H2,1-6H3,(H,32,36);5-9,11,13-16,22-23H,10,12H2,1-4H3,(H,33,38)(H,36,37);5-9,11-12,14-16,22-23H,10,13H2,1-4H3,(H,30,35)(H,33,34)/t27-,28?;25-,26?;22-,23?;22-,23-/m0000/s1
InChIKeyLSAPLEQUWVKMGX-DOWFLVLHSA-N
XLogP21.79
TPSA364.70 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.83
LogP ≤ 521.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(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-[[(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-[2-[[3-[5-[(1S)-2-carboxy-1-[[(2R)-2-[5-[(3,3-difluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]methyl]-6-methylphenyl]-3-pyridinyl]-3-[[(2S)-2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]propanoic acid
CID 146189676
(3S)-3-[3-[3-[1-[(1S)-2-[[(1S)-2-carboxy-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-1-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-2-oxopiperidin-4-yl]-2-methylphenyl]phenyl]-3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]propanoic acid
CID 146189680
(3S)-3-[[(2S)-2-[4-[3-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]-2-oxo-5-propylpiperidin-1-yl]-4-methylpentanoyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 146189694
(3R)-3-[[2-[4-[3-[5-[(1S)-2-carboxy-1-[[2-[4-[[3-[5-[(1S)-2-carboxy-1-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-2,4-difluorophenyl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-4-[[(E)-2-(2,6-dimethylphenyl)prop-1-enyl]iminomethyl]pent-4-enoic acid
CID 146189738
(3S)-3-[[2-[4-[[3-[5-[(1S)-2-carboxy-1-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-4-fluoro-2-methylphenyl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[3-(2,6-dichlorophenyl)phenyl]propanoic acid
CID 146189844
(3S)-3-[[(2S)-2-[4-[[3-[5-[(1S)-2-carboxy-1-[[(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-6-fluoro-2,4-dimethylphenyl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]propanoic acid
CID 146189911
(3S)-3-[[2-[4-[2-[3-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-6-fluoro-2,4-dimethylphenyl]cyclopropyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
CID 147106516
(3S)-3-[5-[3-[1-[(2S)-1-[[(1S)-2-carboxy-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxo-5-propylpiperidin-4-yl]-2,6-dimethylphenyl]-3-pyridinyl]-3-[[(2S)-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanoyl]amino]propanoic acid
CID 147779590
(3S)-3-[5-[3-[[1-[1-[[(1S)-2-carboxy-1-[5-(2,6-dichlorophenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxo-4-pyridinyl]methyl]-6-fluoro-2-methylphenyl]-3-pyridinyl]-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 155082813
(3S)-3-[[2-[4-[4-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-3,5-dimethyl-2-pyridinyl]-2-oxopiperidin-1-yl]-4-methylpentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 155374640

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
The IUPAC name of (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide (CID 159439899) is (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide.
What is the SMILES notation for (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
The canonical SMILES for (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide is CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cc(F)cc2C)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C2CC2)cc1=O)c1cncc(-c2c(C)cccc2C)c1.Cc1cccc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)C(CC(C)C)n2cc(C(F)(F)F)ccc2=O)c1.Cc1ccn([C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3Cl)c2)c(=O)c1.
What is the InChIKey of (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
The InChIKey is LSAPLEQUWVKMGX-DOWFLVLHSA-N. The full InChI is InChI=1S/C31H37N3O3.C29H34FN3O3.C28H30F3N3O4.C27H30ClN3O4/c1-19(2)13-28(34-12-11-24(16-29(34)36)23-9-10-23)31(37)33-27(14-22(5)35)25-15-26(18-32-17-25)30-20(3)7-6-8-21(30)4;1-17(2)9-26(33-8-7-18(3)10-27(33)35)29(36)32-25(13-21(6)34)22-14-23(16-31-15-22)28-19(4)11-24(30)12-20(28)5;1-16(2)10-23(34-15-21(28(29,30)31)8-9-24(34)35)27(38)33-22(12-25(36)37)19-11-20(14-32-13-19)26-17(3)6-5-7-18(26)4;1-16(2)10-23(31-9-8-17(3)11-24(31)32)27(35)30-22(13-25(33)34)19-12-20(15-29-14-19)26-18(4)6-5-7-21(26)28/h6-8,11-12,15-19,23,27-28H,9-10,13-14H2,1-5H3,(H,33,37);7-8,10-12,14-17,25-26H,9,13H2,1-6H3,(H,32,36);5-9,11,13-16,22-23H,10,12H2,1-4H3,(H,33,38)(H,36,37);5-9,11-12,14-16,22-23H,10,13H2,1-4H3,(H,30,35)(H,33,34)/t27-,28?;25-,26?;22-,23?;22-,23-/m0000/s1.
What are the key properties of (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide?
(3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide has a molecular weight of 2016.83 g/mol, XLogP of 21.79, 37 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(2-chloro-6-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;2-(4-cyclopropyl-2-oxo-1-pyridinyl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide is sourced from PubChem (CID 159439899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).