7U4

6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

Created:	2016-12-06
Last modified:	2017-03-22

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1 entries where 7U4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	0
Bond Count	67
Aromatic Bond Count	18

2D diagram of 7U4

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Chemical Component Summary
Name	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Systematic Name (OpenEye OEToolkits)	6-[2-[[cyclopropyl-(4-pyridin-3-ylphenyl)carbonyl-amino]methyl]phenoxy]hexanoic acid
Formula	C₂₈ H₃₀ N₂ O₄
Molecular Weight	458.549
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4cccc(c1ccc(cc1)C(N(Cc2ccccc2OCCCCCC(O)=O)C3CC3)=O)c4
SMILES	CACTVS	3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C28H30N2O4/c31-27(32)10-2-1-5-18-34-26-9-4-3-7-24(26)20-30(25-15-16-25)28(33)22-13-11-21(12-14-22)23-8-6-17-29-19-23/h3-4,6-9,11-14,17,19,25H,1-2,5,10,15-16,18,20H2,(H,31,32)
InChIKey	InChI	1.03	LNCQVUMJUZJEIR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86281821

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