| CAS Number | 15266-88-3 |
| Catalog Number | AG00ACHI(AGN-PC-0O4CLP) |
| Chemical Name | Cyclo(-gly-his) |
| IUPAC Name | (3S)-3-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione |
| InChI | InChI=1S/C8H10N4O2/c13-7-3-10-8(14)6(12-7)1-5-2-9-4-11-5/h2,4,6H,1,3H2,(H,9,11)(H,10,14)(H,12,13)/t6-/m0/s1 |
| InChI Key | FYFJTCMGWLBLPG-LURJTMIESA-N |
| MDL Number | MFCD00237614 |
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.1906 |
| SMILES | C(c1c[nH]cn1)[C@@H]1NC(=O)CNC1=O |
| Synonyms | Cyclo(-Gly-His),
15266-88-3,
Cyclo(His-Gly-),
Cyclo(-Gly-L-His),
AC1OLRHE,
cyclo(glycyl-l-histidyl),
SCHEMBL10515887,
ZINC4899714,
MFCD00237614,
AKOS006275241,
AKOS027250978,
Z5665,
(3S)-3-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione,
C8H10N4O2,
ZINC04899714,
CID7408484,
(S)-3-((1H-Imidazol-5-yl)methyl)piperazine-2,5-dione,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.194g/mol |
| Monoisotopic Mass | 194.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number