7SV

6-(2-{[cyclopropyl(2'-fluoro[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 7SV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	0
Bond Count	68
Aromatic Bond Count	18

2D diagram of 7SV

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Chemical Component Summary
Name	6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
Systematic Name (OpenEye OEToolkits)	6-[2-[[cyclopropyl-[4-(2-fluorophenyl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid
Formula	C₂₉ H₃₀ F N O₄
Molecular Weight	475.551
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(c(CN(C(c1ccc(cc1)c2ccccc2F)=O)C3CC3)cccc4)OCCCCCC(=O)O
SMILES	CACTVS	3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C29H30FNO4/c30-26-10-5-4-9-25(26)21-13-15-22(16-14-21)29(34)31(24-17-18-24)20-23-8-3-6-11-27(23)35-19-7-1-2-12-28(32)33/h3-6,8-11,13-16,24H,1-2,7,12,17-20H2,(H,32,33)
InChIKey	InChI	1.03	AXMUDGKRIPSDEA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	117640352

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