AG000426

10125-07-2 | 2,5-Piperazinedione, 3-(phenylmethyl)-, (3S)-

AG000426

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CAS Number	10125-07-2
Catalog Number	AG000426(AGN-PC-0NV5Y7)
Chemical Name	2,5-Piperazinedione, 3-(phenylmethyl)-, (3S)-
IUPAC Name	(3S)-3-benzylpiperazine-2,5-dione
InChI	InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1
InChI Key	UZOJHXFWJFSFAI-VIFPVBQESA-N
MDL Number	MFCD00190926
Molecular Formula	C11H12N2O2
Molecular Weight	204.2252
SMILES	O=C([C@H](CC1=CC=CC=C1)N2)NCC2=O
Synonyms	10125-07-2, (S)-3-BENZYLPIPERAZINE-2,5-DIONE, CYCLO(-GLY-PHE), (3S)-3-benzylpiperazine-2,5-dione, (S)-3-BENZYL-2,5-DIOXOPIPERAZINE, 2,5-Piperazinedione, 3-(phenylmethyl)-, (3S)-, cyclo(Gly-Phe), Cyclo(L-Phe-Gly-), AC1OEAY5, CYCLO(GLY-L-PHE), cyclo(glycyl-L-phenylalanyl), cyclo(L-phenylalanyl-glycyl), Cyclo(-Gly-Phe), AldrichCPR, SCHEMBL1673516, CHEMBL2074841, UZOJHXFWJFSFAI-VIFPVBQESA-N, ZINC4026502, (S)-2-benzylpiperazine-3,6-dione, MFCD00190926, (S)-2-benzyl piperazine-3,6-dione, 3-(S)-benzyl-piperazine-2,5-dione, 6-(S)-Benzyl-piperazine-2,5-dione, AKOS024462543, AB04537, AK162633, AX8122560, FT-0697168, ST24036138, Z5576, K-0220, Cyclo(Phe-Gly), C11H12N2O2, ZINC00518967, ACN-026546, CID7076549,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	204.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.229g/mol
Monoisotopic Mass	204.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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