7SS

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

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

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1 entries where 7SS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	0
Bond Count	72
Aromatic Bond Count	18

2D diagram of 7SS

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Chemical Component Summary
Name	6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
Systematic Name (OpenEye OEToolkits)	6-[2-[[cyclopropyl-[4-(4-methoxyphenyl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid
Formula	C₃₀ H₃₃ N O₅
Molecular Weight	487.587
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(CN(C1CC1)C(c2ccc(cc2)c3ccc(cc3)OC)=O)c(ccc4)OCCCCCC(O)=O
SMILES	CACTVS	3.385	COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4
InChI	InChI	1.03	InChI=1S/C30H33NO5/c1-35-27-18-14-23(15-19-27)22-10-12-24(13-11-22)30(34)31(26-16-17-26)21-25-7-4-5-8-28(25)36-20-6-2-3-9-29(32)33/h4-5,7-8,10-15,18-19,26H,2-3,6,9,16-17,20-21H2,1H3,(H,32,33)
InChIKey	InChI	1.03	KGVIWPXNLFKQLW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	117631016

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