LBX

(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline

Created:	2022-03-01
Last modified:	2024-09-27

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1 entries where LBX is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	0

2D diagram of LBX

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Chemical Component Summary
Name	(E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline
Systematic Name (OpenEye OEToolkits)	(2~{S})-5-oxidanyl-3-oxidanylidene-2-[(~{E})-3-oxidanylidenepropylideneamino]pentanoic acid
Formula	C₈ H₁₁ N O₅
Molecular Weight	201.177
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CCO)C(\N=C\CC=O)C(=O)O
SMILES	CACTVS	3.385	OCCC(=O)[CH](N=CCC=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C(CO)C(=O)C(C(=O)O)N=CCC=O
Canonical SMILES	CACTVS	3.385	OCCC(=O)[C@H](N=CCC=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(CO)C(=O)[C@@H](C(=O)O)/N=C/CC=O
InChI	InChI	1.03	InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1
InChIKey	InChI	1.03	PXXGDOCPYMGSFI-FHYFFISESA-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.