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Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-

HCID 98951
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5654-87-5
Standard SMILES
CC(C)C1NC(=O)C2CCCN2C1=O
InChIKey
XLUAWXQORJEMBD-UHFFFAOYSA-N
Molecular formula
C10H16N2O2
Average molar mass
196.25 g/mol
Monoisotopic mass
196.12117776

Overview

Cyclo(D-Val-L-Pro) is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

Names & identifiers

Preferred name
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
IUPAC
3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
English name
Cyclo(Pro-Val)
Molecular formula
C10H16N2O2
Molecular weight
196.25

Names & synonyms

5654-87-5Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dioneRefChem:1097664Cyclo(Pro-Val)Cyclo-Val-Pro-diketopiperazine3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4-dioneCyclo(Val-Pro)Cyclo(prolylvalyl)orb1680084SCHEMBL5270150
Show more names
c(Pro-Val)DLCyclo(Pro-Val), 10 mM in DMSOPyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
3-isopropyl-hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneDTXSID20971985CHEBI:181001CHEBI:201644XLUAWXQORJEMBD-UHFFFAOYSA-N3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dioneHY-N11615NSC153414

Database identifiers

CAS
5654-87-5

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
275

Physicochemical properties

Melting point
190 · 190-192 °C(Solv: ethyl acetate (141-78-6))
Boiling point
420.7 · 420.7±34.0 °C(Predicted)
Density
1.17 · 1.17±0.1 g/cm3(Predicted)
pka
13.15 · 13.15±0.40(Predicted)
form
Solid
color
White to off-white

Chemistry & industry

Applications

UsesCyclo-Val-Pro-diketopiperazine is a useful research chemical compound used in the preparation and synthesis of L-histidyl-L-phenylalanyl-L-arginyl-L-trypto-phanylglycyl-ε-CBO-L-lysyl-L-prolyl-L-valylamide.

Suppliers22 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
风咏生物(AbMole)021-10000000 13000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
成都标样生物科技有限公司

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
PubChem CID
98951
DTXSID
DTXSID20971985
ChEBI
CHEBI:201644
Nikkaji
J92.063K
028-81700200 13308200041 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

Additional notes

DefinitionChEBI: Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)- is an organooxygen compound and an organonitrogen compound. It is functionally related to an alpha-amino acid.