A1LVG

(3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione

Created:	2023-12-20
Last modified:	2025-05-28

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1 entries where A1LVG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	3
Bond Count	40
Aromatic Bond Count	0

2D diagram of A1LVG

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Chemical Component Summary
Name	(3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione
Formula	C₁₂ H₂₂ N₂ O₄
Molecular Weight	258.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](CCO)[CH]1NC(=O)[CH](CC(C)(C)O)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CC(CCO)C1C(=O)NC(C(=O)N1)CC(C)(C)O
Canonical SMILES	CACTVS	3.385	C[C@@H](CCO)[C@@H]1NC(=O)[C@H](CC(C)(C)O)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)(C)O
InChI	InChI	1.06	InChI=1S/C12H22N2O4/c1-7(4-5-15)9-11(17)13-8(10(16)14-9)6-12(2,3)18/h7-9,15,18H,4-6H2,1-3H3,(H,13,17)(H,14,16)/t7-,8+,9?/m1/s1
InChIKey	InChI	1.06	BJPOUTJDLWKJCE-WGTSGOJVSA-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.