AG00DCAF

53109-32-3 | Cyclo(L-His-L-Pro)

AG00DCAF

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	53109-32-3
Catalog Number	AG00DCAF(AGN-PC-0HNBLG)
Chemical Name	Cyclo(L-His-L-Pro)
EC Number	610-961-3
IUPAC Name	(3S,8aS)-3-(1H-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
InChI	InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1
InChI Key	NAKUGCPAQTUSBE-IUCAKERBSA-N
MDL Number	MFCD00133207
Molecular Formula	C11H14N4O2
Molecular Weight	234.2545
SMILES	O=C(N[C@H]1CC2=CNC=N2)[C@@](CCC3)([H])N3C1=O
UNII	Q10817UXVT
Synonyms	cyclo(His-Pro), cyclo(histidyl-prolyl), His-Pro-Dkp, histidyl-proline diketopiperazine, histidyl-proline diketopiperazine, (3R-cis)-isomer, histidyl-proline diketopiperazine, (3S-cis)-isomer, histidyl-proline diketopiperazine, (3S-trans)-isomer, histidyl-proline-diketopiperazine, Cyclo(his-pro), Cyclo(-His-Pro), UNII-Q10817UXVT, 53109-32-3, MLS000028694, Q10817UXVT, CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR, SMR000058881, (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE, 1w1t, AC1L9MPV, Cyclo(L-His-L-Pro-), Opera_ID_1205, cyclo[l-histidyl-l-prolyl], CHEMBL188225, SCHEMBL2039884, SCHEMBL12228287, HMS2234D12, ZINC4899569, 6560AH, MFCD00133207, CS-6320, DB02414, HY-101402, A-8803, (3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (3S,8aS)-3-(1H-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CYCLO, Cyclo(L-His-L-Pro), C11H14N4O2, CID449094, C11-H14-N4-O2, CHQ, Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1H-imidazol-4-ylmethyl)-, (3S-trans)-, 4257-92-5,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	234.112g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.259g/mol
Monoisotopic Mass	234.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number