3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C167H172F4N14O29S3 — CID 161269091

IUPAC3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCCC(=O)N(C)Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)S(=O)(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC(F)(F)F)c1.CNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)c(F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2cnccn2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCCC(C)(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(C(N)CC(=O)O)c1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H26N4O4.C30H34N2O5S.C29H30N2O4.C27H26N2O5.C26H23F3N2O6S.C25H23FN2O5S.5H2/c1-19-2-8-23(34-29(36)30(10-11-30)22-7-9-26-27(14-22)38-18-37-26)15-24(19)21-5-3-20(4-6-21)16-33-28(35)25-17-31-12-13-32-25;1-20-5-9-23(32-28(33)30(13-14-30)22-8-12-26-27(17-22)37-19-36-26)18-25(20)21-6-10-24(11-7-21)38(34,35)31-16-15-29(2,3)4;1-4-27(32)31(3)17-20-6-8-21(9-7-20)24-16-23(11-5-19(24)2)30-28(33)29(13-14-29)22-10-12-25-26(15-22)35-18-34-25;1-16-5-7-20(13-21(16)17-3-2-4-18(11-17)22(28)14-25(30)31)29-26(32)27(9-10-27)19-6-8-23-24(12-19)34-15-33-23;1-31(2)38(33,34)19-5-3-4-16(12-19)20-14-18(7-9-21(20)37-26(27,28)29)30-24(32)25(10-11-25)17-6-8-22-23(13-17)36-15-35-22;1-15-3-5-17(12-20(15)19-7-6-18(13-21(19)26)34(30,31)27-2)28-24(29)25(9-10-25)16-4-8-22-23(11-16)33-14-32-22;;;;;/h2-9,12-15,17H,10-11,16,18H2,1H3,(H,33,35)(H,34,36);5-12,17-18,31H,13-16,19H2,1-4H3,(H,32,33);5-12,15-16H,4,13-14,17-18H2,1-3H3,(H,30,33);2-8,11-13,22H,9-10,14-15,28H2,1H3,(H,29,32)(H,30,31);3-9,12-14H,10-11,15H2,1-2H3,(H,30,32);3-8,11-13,27H,9-10,14H2,1-2H3,(H,28,29);5*1H
InChIKeyVDOMVUCOLWPVOV-UHFFFAOYSA-N
MW3011.47 g/mol
LogP30.76
Rot. Bonds42

About 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 161269091) has the molecular formula C167H172F4N14O29S3 and a molecular weight of 3011.47 g/mol. Its IUPAC name is 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID161269091
Molecular FormulaC167H172F4N14O29S3
Molecular Weight3011.47 g/mol
Exact Mass3009.15
IUPAC Name3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCCC(=O)N(C)Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)S(=O)(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC(F)(F)F)c1.CNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)c(F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2cnccn2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCCC(C)(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(C(N)CC(=O)O)c1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H26N4O4.C30H34N2O5S.C29H30N2O4.C27H26N2O5.C26H23F3N2O6S.C25H23FN2O5S.5H2/c1-19-2-8-23(34-29(36)30(10-11-30)22-7-9-26-27(14-22)38-18-37-26)15-24(19)21-5-3-20(4-6-21)16-33-28(35)25-17-31-12-13-32-25;1-20-5-9-23(32-28(33)30(13-14-30)22-8-12-26-27(17-22)37-19-36-26)18-25(20)21-6-10-24(11-7-21)38(34,35)31-16-15-29(2,3)4;1-4-27(32)31(3)17-20-6-8-21(9-7-20)24-16-23(11-5-19(24)2)30-28(33)29(13-14-29)22-10-12-25-26(15-22)35-18-34-25;1-16-5-7-20(13-21(16)17-3-2-4-18(11-17)22(28)14-25(30)31)29-26(32)27(9-10-27)19-6-8-23-24(12-19)34-15-33-23;1-31(2)38(33,34)19-5-3-4-16(12-19)20-14-18(7-9-21(20)37-26(27,28)29)30-24(32)25(10-11-25)17-6-8-22-23(13-17)36-15-35-22;1-15-3-5-17(12-20(15)19-7-6-18(13-21(19)26)34(30,31)27-2)28-24(29)25(9-10-25)16-4-8-22-23(11-16)33-14-32-22;;;;;/h2-9,12-15,17H,10-11,16,18H2,1H3,(H,33,35)(H,34,36);5-12,17-18,31H,13-16,19H2,1-4H3,(H,32,33);5-12,15-16H,4,13-14,17-18H2,1-3H3,(H,30,33);2-8,11-13,22H,9-10,14-15,28H2,1H3,(H,29,32)(H,30,31);3-9,12-14H,10-11,15H2,1-2H3,(H,30,32);3-8,11-13,27H,9-10,14H2,1-2H3,(H,28,29);5*1H
InChIKeyVDOMVUCOLWPVOV-UHFFFAOYSA-N
XLogP30.76
TPSA562.82 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003011.47
LogP ≤ 530.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 161269091) is 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CCC(=O)N(C)Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)S(=O)(=O)c1cccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2OC(F)(F)F)c1.CNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)c(F)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNC(=O)c2cnccn2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(=O)(=O)NCCC(C)(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(C(N)CC(=O)O)c1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is VDOMVUCOLWPVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4.C30H34N2O5S.C29H30N2O4.C27H26N2O5.C26H23F3N2O6S.C25H23FN2O5S.5H2/c1-19-2-8-23(34-29(36)30(10-11-30)22-7-9-26-27(14-22)38-18-37-26)15-24(19)21-5-3-20(4-6-21)16-33-28(35)25-17-31-12-13-32-25;1-20-5-9-23(32-28(33)30(13-14-30)22-8-12-26-27(17-22)37-19-36-26)18-25(20)21-6-10-24(11-7-21)38(34,35)31-16-15-29(2,3)4;1-4-27(32)31(3)17-20-6-8-21(9-7-20)24-16-23(11-5-19(24)2)30-28(33)29(13-14-29)22-10-12-25-26(15-22)35-18-34-25;1-16-5-7-20(13-21(16)17-3-2-4-18(11-17)22(28)14-25(30)31)29-26(32)27(9-10-27)19-6-8-23-24(12-19)34-15-33-23;1-31(2)38(33,34)19-5-3-4-16(12-19)20-14-18(7-9-21(20)37-26(27,28)29)30-24(32)25(10-11-25)17-6-8-22-23(13-17)36-15-35-22;1-15-3-5-17(12-20(15)19-7-6-18(13-21(19)26)34(30,31)27-2)28-24(29)25(9-10-25)16-4-8-22-23(11-16)33-14-32-22;;;;;/h2-9,12-15,17H,10-11,16,18H2,1H3,(H,33,35)(H,34,36);5-12,17-18,31H,13-16,19H2,1-4H3,(H,32,33);5-12,15-16H,4,13-14,17-18H2,1-3H3,(H,30,33);2-8,11-13,22H,9-10,14-15,28H2,1H3,(H,29,32)(H,30,31);3-9,12-14H,10-11,15H2,1-2H3,(H,30,32);3-8,11-13,27H,9-10,14H2,1-2H3,(H,28,29);5*1H.
What are the key properties of 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 3011.47 g/mol, XLogP of 30.76, 42 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]propanoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]pyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(3,3-dimethylbutylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-4-(methylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(propanoyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 161269091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).