ZYP

5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

Created:	2010-10-04
Last modified:	2011-06-04

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1 entries where ZYP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	17

2D diagram of ZYP

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Chemical Component Summary
Name	5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
Systematic Name (OpenEye OEToolkits)	5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
Formula	C₂₀ H₁₉ F N₄ O₄ S
Molecular Weight	430.453
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S4(=O)N(c2nc(C(=O)NCc1ccc(F)cc1)c(O)c3ncccc23)CCCC4
SMILES	CACTVS	3.370	Oc1c(nc(N2CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1
Canonical SMILES	CACTVS	3.370	Oc1c(nc(N2CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1
InChI	InChI	1.03	InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
InChIKey	InChI	1.03	DIDKWCOCQJWMDJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	457930
ChEMBL	CHEMBL414850

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