A1LVE

(3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione

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

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1 entries where A1LVE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	3
Bond Count	39
Aromatic Bond Count	0

2D diagram of A1LVE

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Chemical Component Summary
Name	(3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3~{S},6~{S})-3-(2-methylpropyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione
Formula	C₁₂ H₂₂ N₂ O₃
Molecular Weight	242.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)C[CH]1NC(=O)[CH](NC1=O)[CH](C)CCO
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC1C(=O)NC(C(=O)N1)C(C)CCO
Canonical SMILES	CACTVS	3.385	CC(C)C[C@@H]1NC(=O)[C@@H](NC1=O)[C@@H](C)CCO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChI	InChI	1.06	InChI=1S/C12H22N2O3/c1-7(2)6-9-11(16)14-10(12(17)13-9)8(3)4-5-15/h7-10,15H,4-6H2,1-3H3,(H,13,17)(H,14,16)
InChIKey	InChI	1.06	PBPDVGRYZDBSCX-UHFFFAOYSA-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.