3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid

C145H165Cl6F3N26O25 — CID 157452606

IUPAC3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
SMILESCc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1.Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2cccc(OC(F)(F)F)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)NC(NC(=O)O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C31H32N4O4.C28H32N4O4.2C22H26Cl2N4O4.C22H25F3N4O5.C20H24Cl2N6O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26;1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21;1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-28-21(30)11-16(12-22(31)32)15-9-17(23)13-18(24)10-15;1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-13-21(30)28-18(12-22(31)32)15-9-16(23)11-17(24)10-15;1-14-7-9-27-18(10-14)26-8-3-6-19(30)28-13-20(31)29-17(12-21(32)33)15-4-2-5-16(11-15)34-22(23,24)25;1-12-5-7-24-16(8-12)23-6-3-2-4-17(29)27-28-19(30)25-18(26-20(31)32)13-9-14(21)11-15(22)10-13/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39);2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36);5,7-10,13,16H,2-4,6,11-12H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32);5,7-11,18H,2-4,6,12-13H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32);2,4-5,7,9-11,17H,3,6,8,12-13H2,1H3,(H,26,27)(H,28,30)(H,29,31)(H,32,33);5,7-11,18,26H,2-4,6H2,1H3,(H,23,24)(H,27,29)(H,31,32)(H2,25,28,30)
InChIKeyBSYZEXYCESLDSN-UHFFFAOYSA-N
MW2941.78 g/mol
LogP23.59
Rot. Bonds68

About 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid

3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid (PubChem CID 157452606) has the molecular formula C145H165Cl6F3N26O25 and a molecular weight of 2941.78 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
PubChem CID157452606
Molecular FormulaC145H165Cl6F3N26O25
Molecular Weight2941.78 g/mol
Exact Mass2937.05
IUPAC Name3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
SMILESCc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1.Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2cccc(OC(F)(F)F)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)NC(NC(=O)O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C31H32N4O4.C28H32N4O4.2C22H26Cl2N4O4.C22H25F3N4O5.C20H24Cl2N6O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26;1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21;1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-28-21(30)11-16(12-22(31)32)15-9-17(23)13-18(24)10-15;1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-13-21(30)28-18(12-22(31)32)15-9-16(23)11-17(24)10-15;1-14-7-9-27-18(10-14)26-8-3-6-19(30)28-13-20(31)29-17(12-21(32)33)15-4-2-5-16(11-15)34-22(23,24)25;1-12-5-7-24-16(8-12)23-6-3-2-4-17(29)27-28-19(30)25-18(26-20(31)32)13-9-14(21)11-15(22)10-13/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39);2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36);5,7-10,13,16H,2-4,6,11-12H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32);5,7-11,18H,2-4,6,12-13H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32);2,4-5,7,9-11,17H,3,6,8,12-13H2,1H3,(H,26,27)(H,28,30)(H,29,31)(H,32,33);5,7-11,18,26H,2-4,6H2,1H3,(H,23,24)(H,27,29)(H,31,32)(H2,25,28,30)
InChIKeyBSYZEXYCESLDSN-UHFFFAOYSA-N
XLogP23.59
TPSA755.81 Ų
H-Bond Donors26
H-Bond Acceptors31
Rotatable Bonds68
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002941.78
LogP ≤ 523.59
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-(3,5-Dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;3-(3,5-dichlorophenyl)-3-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]propanoic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid;3-(4-phenylphenyl)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid
CID 158474324
Tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 159116094
3-(3,5-Dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;3-(3,5-dichlorophenyl)-3-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]propanoic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid
CID 159646513
Tris(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxohexanoic acid);6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-3-(4-naphthalen-1-ylphenyl)-5-oxohexanoic acid;6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-5-oxo-3-(4-phenylphenyl)hexanoic acid;6-[5-(4-methyl-2-pyridinyl)pentanoylamino]-5-oxo-3-[3-(trifluoromethoxy)phenyl]hexanoic acid;5-oxo-3-(4-phenylphenyl)-6-[5-(pyridin-2-ylamino)pentanoylamino]hexanoic acid
CID 160025915

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid (CID 157452606) is 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid is Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)c1.Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2cccc(OC(F)(F)F)c2)c1.Cc1ccnc(NCCCCC(=O)NCC(=O)NC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(=O)O)c2ccc(-c3ccccc3)cc2)c1.Cc1ccnc(NCCCCC(=O)NNC(=O)NC(NC(=O)O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
The InChIKey is BSYZEXYCESLDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4.C28H32N4O4.2C22H26Cl2N4O4.C22H25F3N4O5.C20H24Cl2N6O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26;1-20-14-16-30-25(17-20)29-15-6-5-9-26(33)31-32-27(34)18-24(19-28(35)36)23-12-10-22(11-13-23)21-7-3-2-4-8-21;1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-28-21(30)11-16(12-22(31)32)15-9-17(23)13-18(24)10-15;1-14-5-7-26-19(8-14)25-6-3-2-4-20(29)27-13-21(30)28-18(12-22(31)32)15-9-16(23)11-17(24)10-15;1-14-7-9-27-18(10-14)26-8-3-6-19(30)28-13-20(31)29-17(12-21(32)33)15-4-2-5-16(11-15)34-22(23,24)25;1-12-5-7-24-16(8-12)23-6-3-2-4-17(29)27-28-19(30)25-18(26-20(31)32)13-9-14(21)11-15(22)10-13/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39);2-4,7-8,10-14,16-17,24H,5-6,9,15,18-19H2,1H3,(H,29,30)(H,31,33)(H,32,34)(H,35,36);5,7-10,13,16H,2-4,6,11-12H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32);5,7-11,18H,2-4,6,12-13H2,1H3,(H,25,26)(H,27,29)(H,28,30)(H,31,32);2,4-5,7,9-11,17H,3,6,8,12-13H2,1H3,(H,26,27)(H,28,30)(H,29,31)(H,32,33);5,7-11,18,26H,2-4,6H2,1H3,(H,23,24)(H,27,29)(H,31,32)(H2,25,28,30).
What are the key properties of 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid?
3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid has a molecular weight of 2941.78 g/mol, XLogP of 23.59, 68 rotatable bonds, 26 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-3-[[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]acetyl]amino]propanoic acid;[(3,5-dichlorophenyl)-[[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]carbamoylamino]methyl]carbamic acid;3-(3,5-dichlorophenyl)-5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxopentanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid;3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid;5-[2-[5-[(4-methyl-2-pyridinyl)amino]pentanoyl]hydrazinyl]-5-oxo-3-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 157452606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).