Cyclo (Phe-Pro) 5mg

CAT: 0628-A22726-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22726-5Size:5 mg

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CAS Number

14705-60-3

Chemical Information

(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione

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

CAS Number	14705-60-3
PubChem CID	99895
IUPAC Name	3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Formula	C14H16N2O2
Molecular Weight	244.29
XLogP	1.4
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	350

SMILES

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)

InChIKey

QZBUWPVZSXDWSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14705-60-3

CID: 99895

Formula: C14H16N2O2

MW: 244.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.29
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	244.121177757
Monoisotopic Mass	244.121177757
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	350
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