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Summary Geometry Related PDB entries

7SV

Summary

Name:	6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
Formula:	C29 H30 F N O4
Formal charge:	0
Formula weight:	475.551 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
OpenEye OEToolkits	2.0.6	6-[2-[[cyclopropyl-[4-(2-fluorophenyl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(c(CN(C(c1ccc(cc1)c2ccccc2F)=O)C3CC3)cccc4)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
SMILES_CANONICAL	CACTVS	3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F
SMILES	CACTVS	3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O

223166

数据于2024-07-31公开中

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