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

C116H146F6N12O14 — CID 162062233

IUPAC(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide
SMILESCC(=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.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccc(C(F)(F)F)cc1=O)c1cnc(C)c(-c2ccccc2C)c1.CCCC1CCC(=O)N(C(CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3C)c2)C1.Cc1cccc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCC(C)CC2=O)c1
InChIInChI=1S/C30H41N3O4.C29H36F3N3O3.C29H32F3N3O3.C28H37N3O4/c1-6-8-22-11-12-27(34)33(18-22)26(13-19(2)3)30(37)32-25(15-28(35)36)23-14-24(17-31-16-23)29-20(4)9-7-10-21(29)5;1-17(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;1-17(2)12-26(35-11-10-22(15-27(35)37)29(30,31)32)28(38)34-25(13-19(4)36)21-14-24(20(5)33-16-21)23-9-7-6-8-18(23)3;1-17(2)11-24(31-10-9-18(3)12-25(31)32)28(35)30-23(14-26(33)34)21-13-22(16-29-15-21)27-19(4)7-6-8-20(27)5/h7,9-10,14,16-17,19,22,25-26H,6,8,11-13,15,18H2,1-5H3,(H,32,37)(H,35,36);6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);6-11,14-17,25-26H,12-13H2,1-5H3,(H,34,38);6-8,13,15-18,23-24H,9-12,14H2,1-5H3,(H,30,35)(H,33,34)/t22?,25-,26?;23-,24+,25+;25-,26-;18?,23-,24?/m0100/s1
InChIKeyYZZLSQSZUVKKMW-LRSDXPNOSA-N
MW2046.50 g/mol
LogP21.81
Rot. Bonds38

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

(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide (PubChem CID 162062233) has the molecular formula C116H146F6N12O14 and a molecular weight of 2046.50 g/mol. Its IUPAC name is (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide.

Molecular Properties

Compound Name(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide
PubChem CID162062233
Molecular FormulaC116H146F6N12O14
Molecular Weight2046.50 g/mol
Exact Mass2045.10
IUPAC Name(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide
SMILESCC(=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.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccc(C(F)(F)F)cc1=O)c1cnc(C)c(-c2ccccc2C)c1.CCCC1CCC(=O)N(C(CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3C)c2)C1.Cc1cccc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCC(C)CC2=O)c1
InChIInChI=1S/C30H41N3O4.C29H36F3N3O3.C29H32F3N3O3.C28H37N3O4/c1-6-8-22-11-12-27(34)33(18-22)26(13-19(2)3)30(37)32-25(15-28(35)36)23-14-24(17-31-16-23)29-20(4)9-7-10-21(29)5;1-17(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;1-17(2)12-26(35-11-10-22(15-27(35)37)29(30,31)32)28(38)34-25(13-19(4)36)21-14-24(20(5)33-16-21)23-9-7-6-8-18(23)3;1-17(2)11-24(31-10-9-18(3)12-25(31)32)28(35)30-23(14-26(33)34)21-13-22(16-29-15-21)27-19(4)7-6-8-20(27)5/h7,9-10,14,16-17,19,22,25-26H,6,8,11-13,15,18H2,1-5H3,(H,32,37)(H,35,36);6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);6-11,14-17,25-26H,12-13H2,1-5H3,(H,34,38);6-8,13,15-18,23-24H,9-12,14H2,1-5H3,(H,30,35)(H,33,34)/t22?,25-,26?;23-,24+,25+;25-,26-;18?,23-,24?/m0100/s1
InChIKeyYZZLSQSZUVKKMW-LRSDXPNOSA-N
XLogP21.81
TPSA359.63 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.50
LogP ≤ 521.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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

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Related Compounds

(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)pyridin-3-yl]propanoic acid
CID 146182700
(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
3-[5-(2,6-Dimethylphenyl)-6-methylpyridin-3-yl]-3-[[2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]propanoic acid
CID 146182828
(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-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]propanoic acid
CID 146183084
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
The IUPAC name of (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide (CID 162062233) is (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide.
What is the SMILES notation for (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
The canonical SMILES for (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide is 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.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccc(C(F)(F)F)cc1=O)c1cnc(C)c(-c2ccccc2C)c1.CCCC1CCC(=O)N(C(CC(C)C)C(=O)N[C@@H](CC(=O)O)c2cncc(-c3c(C)cccc3C)c2)C1.Cc1cccc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCC(C)CC2=O)c1.
What is the InChIKey of (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
The InChIKey is YZZLSQSZUVKKMW-LRSDXPNOSA-N. The full InChI is InChI=1S/C30H41N3O4.C29H36F3N3O3.C29H32F3N3O3.C28H37N3O4/c1-6-8-22-11-12-27(34)33(18-22)26(13-19(2)3)30(37)32-25(15-28(35)36)23-14-24(17-31-16-23)29-20(4)9-7-10-21(29)5;1-17(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;1-17(2)12-26(35-11-10-22(15-27(35)37)29(30,31)32)28(38)34-25(13-19(4)36)21-14-24(20(5)33-16-21)23-9-7-6-8-18(23)3;1-17(2)11-24(31-10-9-18(3)12-25(31)32)28(35)30-23(14-26(33)34)21-13-22(16-29-15-21)27-19(4)7-6-8-20(27)5/h7,9-10,14,16-17,19,22,25-26H,6,8,11-13,15,18H2,1-5H3,(H,32,37)(H,35,36);6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);6-11,14-17,25-26H,12-13H2,1-5H3,(H,34,38);6-8,13,15-18,23-24H,9-12,14H2,1-5H3,(H,30,35)(H,33,34)/t22?,25-,26?;23-,24+,25+;25-,26-;18?,23-,24?/m0100/s1.
What are the key properties of (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide?
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide has a molecular weight of 2046.50 g/mol, XLogP of 21.81, 38 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(2-oxo-5-propylpiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[(4R)-2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide is sourced from PubChem (CID 162062233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).