A1HZ2

(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione

Created:	2023-12-12
Last modified:	2024-04-10

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1 entries where A1HZ2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	6

2D diagram of A1HZ2

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Chemical Component Summary
Name	(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Formula	C₁₆ H₁₈ N₂ O₆
Molecular Weight	334.324
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(C2=NO[C]3(CCC(=O)NC3=O)C2)c(OC)c1OC
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(c(c1OC)OC)C2=NOC3(C2)CCC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(c(c1OC)OC)C2=NO[C@]3(C2)CCC(=O)NC3=O
InChI	InChI	1.06	InChI=1S/C16H18N2O6/c1-21-11-5-4-9(13(22-2)14(11)23-3)10-8-16(24-18-10)7-6-12(19)17-15(16)20/h4-5H,6-8H2,1-3H3,(H,17,19,20)/t16-/m0/s1
InChIKey	InChI	1.06	RKTBPSUWUCWUFM-INIZCTEOSA-N

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.