Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-

Details

• Internal ID: 27667c4c-9671-4ccc-a7e4-02fc3acab6cb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: 3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
• SMILES (Canonical): C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3
• SMILES (Isomeric): C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3
• InChI: InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)
• InChI Key: QZBUWPVZSXDWSB-UHFFFAOYSA-N
• Popularity: 44 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 244.29 g/mol
• Exact Mass: 244.121177757 g/mol
• Topological Polar Surface Area (TPSA): 49.40 Ų
• XlogP: 1.40

Synonyms

• Cyclo(Phe-Pro)
• Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-
• Cyclo(phenylalanylprolyl)
• Cyclo(D-phenylalanyl-L-prolyl)
• Cyclo(L-prolyl-D-phenylalanyl)
• A 64863
• 3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
• 3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
• Pyrrolo(2,1-f)pyrazine-1,4-dione, 2,3,6,7,8,8a-hexahydro-3-(phenylmethyl)-
• 3-benzyl-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
• NSC646119
• Phenylalanyl-prolyl diketopiperazine
• PYRROLO[1,2-A]PYRAZINE-1,4-DIONE,HEXAHYDRO-3-(PHENYLMETHYL)-
• Phe-pro-diketopiperazine
• MFCD00038604
• L-Phe-D-Pro lactam
• NSC 255998
• (3S-trans)-3-Benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
• SCHEMBL173749
• Cyclo-Phe-Pro-diketopiperazine
• MEGxm0_000490
• CHEMBL1990465
• ACon0_001420
• DTXSID30933019
• QZBUWPVZSXDWSB-UHFFFAOYSA-N
• A-64863Cyclo(phenylalanylprolyl)
• BCP32901
• HY-P1934
• EINECS 223-047-0
• NSC255998
• 3-(Phenylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(2,1-f)pyrazine-1,4-dione
• AKOS015999981
• NSC-255998
• NSC-646119
• NCGC00380633-02
• AS-71116
• NCI60_015870
• SY045657
• CS-0064705
• FT-0634981
• D92888
• Cyclo(-Phe-Pro);Cyclo-L-phenylalanyl-L-proline
• A-64863
• A929346
• 3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione #
• Pyrrolo[1,4-dione, hexahydro-3-(phenylmethyl)-, (3R-cis)-
• 3-Benzyl-1-hydroxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one
• Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3R-cis)-
• NCGC00380633-02_C14H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	99.00%	98.95%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	95.46%	97.64%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.43%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.06%	95.56%
CHEMBL1902	P62942	FK506-binding protein 1A	92.73%	97.05%
CHEMBL3524	P56524	Histone deacetylase 4	92.22%	92.97%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.67%	95.89%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	87.46%	82.38%
CHEMBL1978	P11511	Cytochrome P450 19A1	87.15%	91.76%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.14%	97.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.13%	85.14%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	85.85%	93.03%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	85.14%	93.00%
CHEMBL5103	Q969S8	Histone deacetylase 10	83.56%	90.08%
CHEMBL5805	Q9NR97	Toll-like receptor 8	83.29%	96.25%
CHEMBL3202	P48147	Prolyl endopeptidase	82.93%	90.65%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.50%	94.45%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	82.43%	92.67%
CHEMBL4447	Q9Y337	Kallikrein 5	80.32%	87.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 99895
• LOTUS: LTS0215734
• wikiData: Q82908802