EEW

[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid

Created:	2018-03-16
Last modified:	2019-01-23

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1 entries where EEW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	3
Bond Count	49
Aromatic Bond Count	0

2D diagram of EEW

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Chemical Component Summary
Name	[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid
Systematic Name (OpenEye OEToolkits)	[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid
Formula	C₁₄ H₂₇ N₂ O₅ P
Molecular Weight	334.348
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P](O)(=O)OC
SMILES	OpenEye OEToolkits	2.0.6	CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)OC
Canonical SMILES	CACTVS	3.385	CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[P](O)(=O)OC
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC
InChI	InChI	1.03	InChI=1S/C14H27N2O5P/c1-5-10(6-2)21-13-8-11(22(18,19)20-4)7-12(15)14(13)16-9(3)17/h8,10,12-14H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)/t12-,13+,14+/m0/s1
InChIKey	InChI	1.03	PYXVXICPPTUQQZ-BFHYXJOUSA-N

Related Resource References

Resource Name	Reference
PubChem	44123800, 44123799
ChEMBL	CHEMBL3969277

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.