A1HZ3

(5~{S})-3-(2-nitrophenyl)-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 A1HZ3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

2D diagram of A1HZ3

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Chemical Component Summary
Name	(5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
Formula	C₁₃ H₁₁ N₃ O₅
Molecular Weight	289.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1CC[C]2(CC(=NO2)c3ccccc3[N](=O)=O)C(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C2=NOC3(C2)CCC(=O)NC3=O)N(=O)=O
Canonical SMILES	CACTVS	3.385	O=C1CC[C@]2(CC(=NO2)c3ccccc3[N](=O)=O)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)C2=NO[C@]3(C2)CCC(=O)NC3=O)N(=O)=O
InChI	InChI	1.06	InChI=1S/C13H11N3O5/c17-11-5-6-13(12(18)14-11)7-9(15-21-13)8-3-1-2-4-10(8)16(19)20/h1-4H,5-7H2,(H,14,17,18)/t13-/m0/s1
InChIKey	InChI	1.06	RDQBZCUTPQCLBV-ZDUSSCGKSA-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.