A1EBP

(3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Created:	2024-09-09
Last modified:	2025-05-21

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1 entries where A1EBP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	2
Bond Count	34
Aromatic Bond Count	0

2D diagram of A1EBP

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Chemical Component Summary
Name	(3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Synonyms	Cyclo(L-Leu-L-Pro)
Systematic Name (OpenEye OEToolkits)	(3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Formula	C₁₁ H₁₈ N₂ O₂
Molecular Weight	210.273
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)C[CH]1NC(=O)[CH]2CCCN2C1=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC1C(=O)N2CCCC2C(=O)N1
Canonical SMILES	CACTVS	3.385	CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1
InChI	InChI	1.06	InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1
InChIKey	InChI	1.06	SZJNCZMRZAUNQT-IUCAKERBSA-N

Related Resource References

Resource Name	Reference
PubChem	7074739
ChEMBL	CHEMBL508326
ChEBI	CHEBI:133094
CCDC/CSD	PROLEU, WEQBAW

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