2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid

C247H328N8O32 — CID 159218807

IUPAC2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid
SMILESCCC(CC)(c1ccc(/C=C/C2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)CC(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NCC(=O)O)c(C)c1.CCC(CC)(c1ccc(CCC2(O)CCCC2)c(C)c1)c1ccc(C(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C32H43NO4.C32H41NO4.C32H45NO4.C31H39NO4.C31H43NO4.C30H37NO4.C30H41NO4.C29H39NO4/c2*1-8-32(9-2,25-13-12-24(22(3)20-25)16-19-31(37)17-10-11-18-31)26-14-15-27(23(4)21-26)28(34)33(7)30(5,6)29(35)36;1-8-31(9-2,26-14-15-27(22(4)19-26)28(34)33-30(6,7)29(35)36)25-13-12-24(21(3)18-25)20-23(5)32(37)16-10-11-17-32;1-7-31(8-2,25-12-11-24(21(3)19-25)15-18-30(36)16-9-10-17-30)26-13-14-27(22(4)20-26)28(33)32(6)23(5)29(34)35;1-7-30(8-2,26-13-14-27(21(4)18-26)28(33)32-23(6)29(34)35)25-12-11-24(20(3)17-25)19-22(5)31(36)15-9-10-16-31;1-6-30(7-2,25-12-13-26(22(4)19-25)28(34)31(5)20-27(32)33)24-11-10-23(21(3)18-24)14-17-29(35)15-8-9-16-29;1-6-29(7-2,25-12-13-26(21(4)17-25)28(34)31-19-27(32)33)24-11-10-23(20(3)16-24)18-22(5)30(35)14-8-9-15-30;1-5-29(6-2,24-11-12-25(21(4)18-24)27(33)30-19-26(31)32)23-10-9-22(20(3)17-23)13-16-28(34)14-7-8-15-28/h12-16,19-21,37H,8-11,17-18H2,1-7H3,(H,35,36);12-15,20-21,37H,8-11,17-18H2,1-7H3,(H,35,36);12-15,18-19,23,37H,8-11,16-17,20H2,1-7H3,(H,33,34)(H,35,36);11-14,19-20,23,36H,7-10,16-17H2,1-6H3,(H,34,35);11-14,17-18,22-23,36H,7-10,15-16,19H2,1-6H3,(H,32,33)(H,34,35);10-13,18-19,35H,6-9,15-16,20H2,1-5H3,(H,32,33);10-13,16-17,22,35H,6-9,14-15,18-19H2,1-5H3,(H,31,34)(H,32,33);9-12,17-18,34H,5-8,13-16,19H2,1-4H3,(H,30,33)(H,31,32)/b19-16+;;;;;;;
InChIKeyKRKOXHXKTBRCSI-PHROWVTCSA-N
MW3921.36 g/mol
LogP47.25
Rot. Bonds70

About 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid

2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid (PubChem CID 159218807) has the molecular formula C247H328N8O32 and a molecular weight of 3921.36 g/mol. Its IUPAC name is 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid
PubChem CID159218807
Molecular FormulaC247H328N8O32
Molecular Weight3921.36 g/mol
Exact Mass3918.43
IUPAC Name2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid
SMILESCCC(CC)(c1ccc(/C=C/C2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)CC(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NCC(=O)O)c(C)c1.CCC(CC)(c1ccc(CCC2(O)CCCC2)c(C)c1)c1ccc(C(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C32H43NO4.C32H41NO4.C32H45NO4.C31H39NO4.C31H43NO4.C30H37NO4.C30H41NO4.C29H39NO4/c2*1-8-32(9-2,25-13-12-24(22(3)20-25)16-19-31(37)17-10-11-18-31)26-14-15-27(23(4)21-26)28(34)33(7)30(5,6)29(35)36;1-8-31(9-2,26-14-15-27(22(4)19-26)28(34)33-30(6,7)29(35)36)25-13-12-24(21(3)18-25)20-23(5)32(37)16-10-11-17-32;1-7-31(8-2,25-12-11-24(21(3)19-25)15-18-30(36)16-9-10-17-30)26-13-14-27(22(4)20-26)28(33)32(6)23(5)29(34)35;1-7-30(8-2,26-13-14-27(21(4)18-26)28(33)32-23(6)29(34)35)25-12-11-24(20(3)17-25)19-22(5)31(36)15-9-10-16-31;1-6-30(7-2,25-12-13-26(22(4)19-25)28(34)31(5)20-27(32)33)24-11-10-23(21(3)18-24)14-17-29(35)15-8-9-16-29;1-6-29(7-2,25-12-13-26(21(4)17-25)28(34)31-19-27(32)33)24-11-10-23(20(3)16-24)18-22(5)30(35)14-8-9-15-30;1-5-29(6-2,24-11-12-25(21(4)18-24)27(33)30-19-26(31)32)23-10-9-22(20(3)17-23)13-16-28(34)14-7-8-15-28/h12-16,19-21,37H,8-11,17-18H2,1-7H3,(H,35,36);12-15,20-21,37H,8-11,17-18H2,1-7H3,(H,35,36);12-15,18-19,23,37H,8-11,16-17,20H2,1-7H3,(H,33,34)(H,35,36);11-14,19-20,23,36H,7-10,16-17H2,1-6H3,(H,34,35);11-14,17-18,22-23,36H,7-10,15-16,19H2,1-6H3,(H,32,33)(H,34,35);10-13,18-19,35H,6-9,15-16,20H2,1-5H3,(H,32,33);10-13,16-17,22,35H,6-9,14-15,18-19H2,1-5H3,(H,31,34)(H,32,33);9-12,17-18,34H,5-8,13-16,19H2,1-4H3,(H,30,33)(H,31,32)/b19-16+;;;;;;;
InChIKeyKRKOXHXKTBRCSI-PHROWVTCSA-N
XLogP47.25
TPSA657.88 Ų
H-Bond Donors20
H-Bond Acceptors24
Rotatable Bonds70
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003921.36
LogP ≤ 547.25
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1024

Analyze 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[4-[3-[4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid
CID 11477650
2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 11785116
2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid
CID 11294162
2-[[4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-N,N,2-trimethylbenzamide;2-[[4-[3-[4-(3-ethyl-3-hydroxy-2-methylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-(3-ethyl-3-hydroxy-2-methylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-(3-ethyl-3-hydroxy-2-methylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid
CID 159110405
4-[3-[4-[(E)-2-(1-hydroxycyclohexyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenol;4-[3-[4-[2-(1-hydroxycyclohexyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 159442164
1-[(E)-2-[4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]-2-methylphenyl]ethenyl]cycloheptan-1-ol;1-[2-[4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]-2-methylphenyl]ethynyl]cycloheptan-1-ol
CID 158086708
ethane;2-[[4-[3-[4-[(E)-3-hydroxy-3,4,4-trimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid
CID 142901683
2-[[4-[3-[4-[(E)-3-ethyl-3-hydroxy-4,4-dimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid
CID 10323976
2-[[4-[3-[4-[(E)-3-ethyl-3-hydroxy-4,4-dimethylpent-1-enyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid
CID 142923443
2-[[4-[3-[4-(3-ethyl-3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 10436821
2-[[4-[3-[4-[1-(1-hydroxycyclopentyl)ethoxy]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid
CID 11409332
2-[[4-[3-[4-(3-ethyl-3-hydroxy-4,4-dimethylpent-1-ynyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid
CID 142923389

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid?
The IUPAC name of 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid (CID 159218807) is 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid is CCC(CC)(c1ccc(/C=C/C2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(C#CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)CC(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)C(=O)O)c(C)c1.CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NCC(=O)O)c(C)c1.CCC(CC)(c1ccc(CCC2(O)CCCC2)c(C)c1)c1ccc(C(=O)NCC(=O)O)c(C)c1.
What is the InChIKey of 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid?
The InChIKey is KRKOXHXKTBRCSI-PHROWVTCSA-N. The full InChI is InChI=1S/C32H43NO4.C32H41NO4.C32H45NO4.C31H39NO4.C31H43NO4.C30H37NO4.C30H41NO4.C29H39NO4/c2*1-8-32(9-2,25-13-12-24(22(3)20-25)16-19-31(37)17-10-11-18-31)26-14-15-27(23(4)21-26)28(34)33(7)30(5,6)29(35)36;1-8-31(9-2,26-14-15-27(22(4)19-26)28(34)33-30(6,7)29(35)36)25-13-12-24(21(3)18-25)20-23(5)32(37)16-10-11-17-32;1-7-31(8-2,25-12-11-24(21(3)19-25)15-18-30(36)16-9-10-17-30)26-13-14-27(22(4)20-26)28(33)32(6)23(5)29(34)35;1-7-30(8-2,26-13-14-27(21(4)18-26)28(33)32-23(6)29(34)35)25-12-11-24(20(3)17-25)19-22(5)31(36)15-9-10-16-31;1-6-30(7-2,25-12-13-26(22(4)19-25)28(34)31(5)20-27(32)33)24-11-10-23(21(3)18-24)14-17-29(35)15-8-9-16-29;1-6-29(7-2,25-12-13-26(21(4)17-25)28(34)31-19-27(32)33)24-11-10-23(20(3)16-24)18-22(5)30(35)14-8-9-15-30;1-5-29(6-2,24-11-12-25(21(4)18-24)27(33)30-19-26(31)32)23-10-9-22(20(3)17-23)13-16-28(34)14-7-8-15-28/h12-16,19-21,37H,8-11,17-18H2,1-7H3,(H,35,36);12-15,20-21,37H,8-11,17-18H2,1-7H3,(H,35,36);12-15,18-19,23,37H,8-11,16-17,20H2,1-7H3,(H,33,34)(H,35,36);11-14,19-20,23,36H,7-10,16-17H2,1-6H3,(H,34,35);11-14,17-18,22-23,36H,7-10,15-16,19H2,1-6H3,(H,32,33)(H,34,35);10-13,18-19,35H,6-9,15-16,20H2,1-5H3,(H,32,33);10-13,16-17,22,35H,6-9,14-15,18-19H2,1-5H3,(H,31,34)(H,32,33);9-12,17-18,34H,5-8,13-16,19H2,1-4H3,(H,30,33)(H,31,32)/b19-16+;;;;;;;.
What are the key properties of 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid?
2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid has a molecular weight of 3921.36 g/mol, XLogP of 47.25, 70 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[4-[(E)-2-(1-hydroxycyclopentyl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)ethynyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]propanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]acetic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]-2-methylpropanoic acid;2-[[4-[3-[4-[2-(1-hydroxycyclopentyl)propyl]-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]amino]propanoic acid is sourced from PubChem (CID 159218807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).