Cyclo (Pro-Val)

CAT: 0127-BUP10913-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10913-05Size:100 mg

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CAS Number

5654-87-5

Synonyms

Cyclo (prolylvalyl)

Purity

=98%

Smiles

O=C1N2C(C(=O)NC1C(C)C)CCC2

Chemical Information

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

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

CAS Number	5654-87-5
PubChem CID	98951
IUPAC Name	3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Formula	C10H16N2O2
Molecular Weight	196.25
XLogP	0.8
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	275

SMILES

CC(C)C1C(=O)N2CCCC2C(=O)N1

InChI

InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)

InChIKey

XLUAWXQORJEMBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5654-87-5

CID: 98951

Formula: C10H16N2O2

MW: 196.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.25
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	196.121177757
Monoisotopic Mass	196.121177757
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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TN6670	Cyclo (D-Val-L-Pro)
GTR19037307-01	Cyclo (L-Pro-L-Val)
HY-N14562	Cyclo (D-Pro-L-Val)
MBS5788740	Cyclo(D-Val-L-Pro)