U6V

N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide

Created:	2020-04-29
Last modified:	2020-06-24

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2 entries where U6V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	0
Bond Count	74
Aromatic Bond Count	18

2D diagram of U6V

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Chemical Component Summary
Name	N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
Systematic Name (OpenEye OEToolkits)	2-[3-azanylpropyl(2-phenylethyl)amino]-~{N}-[(4-fluorophenyl)methyl]-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
Formula	C₂₈ H₃₅ F N₄ O₃ S
Molecular Weight	526.666
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1ccc(F)cc1)N(CCc2ccc(cc2)S(N)(=O)=O)C(CN(CCc3ccccc3)CCCN)=O
SMILES	CACTVS	3.385	NCCCN(CCc1ccccc1)CC(=O)N(CCc2ccc(cc2)[S](N)(=O)=O)Cc3ccc(F)cc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F
Canonical SMILES	CACTVS	3.385	NCCCN(CCc1ccccc1)CC(=O)N(CCc2ccc(cc2)[S](N)(=O)=O)Cc3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C28H35FN4O3S/c29-26-11-7-25(8-12-26)21-33(20-16-24-9-13-27(14-10-24)37(31,35)36)28(34)22-32(18-4-17-30)19-15-23-5-2-1-3-6-23/h1-3,5-14H,4,15-22,30H2,(H2,31,35,36)
InChIKey	InChI	1.03	PTOFZDQATQXAPS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146171281

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.