7SM

6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid

Created: 2016-12-05
Last modified:  2017-03-22

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count72
Aromatic Bond Count18
2D diagram of 7SM
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Chemical Component Summary

Name6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
Systematic Name (OpenEye OEToolkits)6-[2-[[cyclopropyl-[4-(3-methoxyphenyl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid
FormulaC30 H33 N O5
Molecular Weight487.587
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c4c(CN(C1CC1)C(c3ccc(c2cccc(c2)OC)cc3)=O)c(OCCCCCC(=O)O)ccc4
SMILESCACTVS3.385COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4
SMILESOpenEye OEToolkits2.0.6COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4
Canonical SMILESCACTVS3.385 COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4
Canonical SMILESOpenEye OEToolkits2.0.6 COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4
InChIInChI1.03 InChI=1S/C30H33NO5/c1-35-27-10-7-9-24(20-27)22-13-15-23(16-14-22)30(34)31(26-17-18-26)21-25-8-4-5-11-28(25)36-19-6-2-3-12-29(32)33/h4-5,7-11,13-16,20,26H,2-3,6,12,17-19,21H2,1H3,(H,32,33)
InChIKeyInChI1.03 LOAQBTNAQOXHNZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 117630549