3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid

C131H125F15N10O18S2 — CID 159305423

IUPAC3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3cc(OC(F)(F)F)ccc3s2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H30F6N2O4.C33H30F3N3O5S.C33H32F3N3O5S.C32H33F3N2O4/c34-32(35,36)25-17-26(33(37,38)39)19-27(18-25)41-31(45)28(23-12-10-22(11-13-23)21-4-2-1-3-5-21)16-20-6-8-24(9-7-20)30(44)40-15-14-29(42)43;34-33(35,36)44-25-14-15-28-27(19-25)38-32(45-28)39-31(43)26(23-12-10-22(11-13-23)21-4-2-1-3-5-21)18-20-6-8-24(9-7-20)30(42)37-17-16-29(40)41;34-33(35,36)44-25-14-15-27-28(19-25)45-32(38-27)39-31(43)26(23-12-10-22(11-13-23)21-4-2-1-3-5-21)18-20-6-8-24(9-7-20)30(42)37-17-16-29(40)41;33-32(34,35)26-7-4-8-27(20-26)37-31(41)28(24-15-13-23(14-16-24)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)30(40)36-18-17-29(38)39/h4,6-13,17-19,28H,1-3,5,14-16H2,(H,40,44)(H,41,45)(H,42,43);4,6-15,19,26H,1-3,5,16-18H2,(H,37,42)(H,40,41)(H,38,39,43);6-15,19,21,26H,1-5,16-18H2,(H,37,42)(H,40,41)(H,38,39,43);4,7-16,20,22,28H,1-3,5-6,17-19H2,(H,36,40)(H,37,41)(H,38,39)
InChIKeyLBVYLKNQJPJMOC-UHFFFAOYSA-N
MW2476.60 g/mol
LogP29.51
Rot. Bonds42

About 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid

3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid (PubChem CID 159305423) has the molecular formula C131H125F15N10O18S2 and a molecular weight of 2476.60 g/mol. Its IUPAC name is 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid
PubChem CID159305423
Molecular FormulaC131H125F15N10O18S2
Molecular Weight2476.60 g/mol
Exact Mass2474.84
IUPAC Name3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3cc(OC(F)(F)F)ccc3s2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H30F6N2O4.C33H30F3N3O5S.C33H32F3N3O5S.C32H33F3N2O4/c34-32(35,36)25-17-26(33(37,38)39)19-27(18-25)41-31(45)28(23-12-10-22(11-13-23)21-4-2-1-3-5-21)16-20-6-8-24(9-7-20)30(44)40-15-14-29(42)43;34-33(35,36)44-25-14-15-28-27(19-25)38-32(45-28)39-31(43)26(23-12-10-22(11-13-23)21-4-2-1-3-5-21)18-20-6-8-24(9-7-20)30(42)37-17-16-29(40)41;34-33(35,36)44-25-14-15-27-28(19-25)45-32(38-27)39-31(43)26(23-12-10-22(11-13-23)21-4-2-1-3-5-21)18-20-6-8-24(9-7-20)30(42)37-17-16-29(40)41;33-32(34,35)26-7-4-8-27(20-26)37-31(41)28(24-15-13-23(14-16-24)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)30(40)36-18-17-29(38)39/h4,6-13,17-19,28H,1-3,5,14-16H2,(H,40,44)(H,41,45)(H,42,43);4,6-15,19,26H,1-3,5,16-18H2,(H,37,42)(H,40,41)(H,38,39,43);6-15,19,21,26H,1-5,16-18H2,(H,37,42)(H,40,41)(H,38,39,43);4,7-16,20,22,28H,1-3,5-6,17-19H2,(H,36,40)(H,37,41)(H,38,39)
InChIKeyLBVYLKNQJPJMOC-UHFFFAOYSA-N
XLogP29.51
TPSA426.24 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002476.60
LogP ≤ 529.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[4-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[(2-phenylphenyl)methylamino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[4-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid
CID 160622339
3-[[4-[3-[[6-bromo-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742359
3-[[4-[2-(4-tert-butylphenyl)-3-[(4,6-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-[(4,6-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-[(4,6-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-[(5,7-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzoyl]amino]propanoic acid
CID 159547849
3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-[[7-methoxy-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742203
3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]methyl]benzoyl]amino]propanoic acid
CID 20636920
3-[[4-[3-[(5-bromo-1,3-benzothiazol-2-yl)amino]-2-(4-cyclohexylphenyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742356
4-[[4-tert-butyl-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-cyclohexyl-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-cyclohexyl-N-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 159159439
3-[[4-[(4-cyclohexylphenyl)-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]methyl]benzoyl]amino]propanoic acid
CID 20637014
3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[(6,6,8,8-tetrafluoro-[1,3]dioxino[5,4-f][1,3]benzothiazol-2-yl)amino]propyl]benzoyl]amino]propanoic acid
CID 20742453
3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]benzoyl]amino]propanoic acid
CID 20742131
3-[[4-[3-[2-chloro-5-(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid
CID 20742073
3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[(5,7-dichloro-1,3-benzothiazol-2-yl)carbamoylamino]methyl]benzoyl]amino]propanoic acid;3-[[4-[[4-(cyclohexen-1-yl)phenyl]-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]methyl]benzoyl]amino]propanoic acid
CID 87417272

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid (CID 159305423) is 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C3CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3cc(OC(F)(F)F)ccc3s2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(CC(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid?
The InChIKey is LBVYLKNQJPJMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F6N2O4.C33H30F3N3O5S.C33H32F3N3O5S.C32H33F3N2O4/c34-32(35,36)25-17-26(33(37,38)39)19-27(18-25)41-31(45)28(23-12-10-22(11-13-23)21-4-2-1-3-5-21)16-20-6-8-24(9-7-20)30(44)40-15-14-29(42)43;34-33(35,36)44-25-14-15-28-27(19-25)38-32(45-28)39-31(43)26(23-12-10-22(11-13-23)21-4-2-1-3-5-21)18-20-6-8-24(9-7-20)30(42)37-17-16-29(40)41;34-33(35,36)44-25-14-15-27-28(19-25)45-32(38-27)39-31(43)26(23-12-10-22(11-13-23)21-4-2-1-3-5-21)18-20-6-8-24(9-7-20)30(42)37-17-16-29(40)41;33-32(34,35)26-7-4-8-27(20-26)37-31(41)28(24-15-13-23(14-16-24)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)30(40)36-18-17-29(38)39/h4,6-13,17-19,28H,1-3,5,14-16H2,(H,40,44)(H,41,45)(H,42,43);4,6-15,19,26H,1-3,5,16-18H2,(H,37,42)(H,40,41)(H,38,39,43);6-15,19,21,26H,1-5,16-18H2,(H,37,42)(H,40,41)(H,38,39,43);4,7-16,20,22,28H,1-3,5-6,17-19H2,(H,36,40)(H,37,41)(H,38,39).
What are the key properties of 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid?
3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid has a molecular weight of 2476.60 g/mol, XLogP of 29.51, 42 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(cyclohexen-1-yl)phenyl]-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[4-(cyclohexen-1-yl)phenyl]-3-oxo-3-[[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]propyl]benzoyl]amino]propanoic acid;3-[[4-[2-(4-cyclohexylphenyl)-3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 159305423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).