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

C174H198Cl6F3N29O29 — CID 158474324

IUPAC3-(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
SMILESCc1ccnc(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)NCC(=O)NC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)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(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.O=C(O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H34N4O4.C28H32N4O4.C27H30N4O4.2C22H26Cl2N4O4.C22H25F3N4O5.C21H25Cl2N5O4/c1-22-16-18-34-29(19-22)33-17-5-4-11-30(37)35-21-31(38)36-28(20-32(39)40)25-14-12-24(13-15-25)27-10-6-8-23-7-2-3-9-26(23)27;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;32-25(11-5-7-17-29-24-10-4-6-16-28-24)30-19-26(33)31-23(18-27(34)35)22-14-12-21(13-15-22)20-8-2-1-3-9-20;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;1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h2-3,6-10,12-16,18-19,28H,4-5,11,17,20-21H2,1H3,(H,33,34)(H,35,37)(H,36,38)(H,39,40);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);1-4,6,8-10,12-16,23H,5,7,11,17-19H2,(H,28,29)(H,30,32)(H,31,33)(H,34,35);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);5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)
InChIKeyHGSZKYNDYDGLRZ-UHFFFAOYSA-N
MW3429.38 g/mol
LogP28.01
Rot. Bonds83

About 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

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 (PubChem CID 158474324) has the molecular formula C174H198Cl6F3N29O29 and a molecular weight of 3429.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158474324
Molecular FormulaC174H198Cl6F3N29O29
Molecular Weight3429.38 g/mol
Exact Mass3424.30
IUPAC Name3-(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
SMILESCc1ccnc(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)NCC(=O)NC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)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(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.O=C(O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H34N4O4.C28H32N4O4.C27H30N4O4.2C22H26Cl2N4O4.C22H25F3N4O5.C21H25Cl2N5O4/c1-22-16-18-34-29(19-22)33-17-5-4-11-30(37)35-21-31(38)36-28(20-32(39)40)25-14-12-24(13-15-25)27-10-6-8-23-7-2-3-9-26(23)27;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;32-25(11-5-7-17-29-24-10-4-6-16-28-24)30-19-26(33)31-23(18-27(34)35)22-14-12-21(13-15-22)20-8-2-1-3-9-20;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;1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h2-3,6-10,12-16,18-19,28H,4-5,11,17,20-21H2,1H3,(H,33,34)(H,35,37)(H,36,38)(H,39,40);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);1-4,6,8-10,12-16,23H,5,7,11,17-19H2,(H,28,29)(H,30,32)(H,31,33)(H,34,35);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);5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32)
InChIKeyHGSZKYNDYDGLRZ-UHFFFAOYSA-N
XLogP28.01
TPSA864.20 Ų
H-Bond Donors29
H-Bond Acceptors36
Rotatable Bonds83
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003429.38
LogP ≤ 528.01
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
Bis(3-(3,5-dichlorophenyl)-6-[5-[(4-methyl-2-pyridinyl)amino]pentanoylamino]-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;3-(3-nitrophenyl)-5-oxo-6-(5-pyridin-2-ylpentanoylamino)hexanoic acid;5-oxo-3-(4-phenylphenyl)-6-[5-(pyridin-2-ylamino)pentanoylamino]hexanoic acid
CID 161256677

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)NCC(=O)NC(CC(=O)O)c2ccc(-c3cccc4ccccc34)cc2)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(CC(=O)O)c2cc(Cl)cc(Cl)c2)c1.O=C(O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is HGSZKYNDYDGLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4.C28H32N4O4.C27H30N4O4.2C22H26Cl2N4O4.C22H25F3N4O5.C21H25Cl2N5O4/c1-22-16-18-34-29(19-22)33-17-5-4-11-30(37)35-21-31(38)36-28(20-32(39)40)25-14-12-24(13-15-25)27-10-6-8-23-7-2-3-9-26(23)27;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;32-25(11-5-7-17-29-24-10-4-6-16-28-24)30-19-26(33)31-23(18-27(34)35)22-14-12-21(13-15-22)20-8-2-1-3-9-20;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;1-13-5-7-25-18(8-13)24-6-3-2-4-19(29)27-28-21(32)26-17(12-20(30)31)14-9-15(22)11-16(23)10-14/h2-3,6-10,12-16,18-19,28H,4-5,11,17,20-21H2,1H3,(H,33,34)(H,35,37)(H,36,38)(H,39,40);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);1-4,6,8-10,12-16,23H,5,7,11,17-19H2,(H,28,29)(H,30,32)(H,31,33)(H,34,35);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);5,7-11,17H,2-4,6,12H2,1H3,(H,24,25)(H,27,29)(H,30,31)(H2,26,28,32).
What are the key properties of 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?
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 has a molecular weight of 3429.38 g/mol, XLogP of 28.01, 83 rotatable bonds, 29 hydrogen bond donors, and 36 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-(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 is sourced from PubChem (CID 158474324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).