| CAS Number | 115035-46-6 |
| Catalog Number | AG000FRI(AGN-PC-00UROE) |
| Chemical Name | L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrobromide (9CI) |
| IUPAC Name | (2S)-1-(2-aminoacetyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide;hydrobromide |
| InChI | InChI=1S/C17H19N3O4.BrH/c1-10-7-16(22)24-14-8-11(4-5-12(10)14)19-17(23)13-3-2-6-20(13)15(21)9-18;/h4-5,7-8,13H,2-3,6,9,18H2,1H3,(H,19,23);1H/t13-;/m0./s1 |
| InChI Key | PASXTQMFJRHMLJ-ZOWNYOTGSA-N |
| MDL Number | MFCD00152092 |
| Molecular Formula | C17H20BrN3O4 |
| Molecular Weight | 410.2624 |
| SMILES | O=C([C@H]1N(C2=CC(O3)=C(C=C2)C(C)=CC3=O)CCC1)NC(CN)=O.[H]Br |
| Synonyms | Glycyl-L-proline 7-amido-4-methylcoumarin hydrobromide,
115035-46-6,
G-6350,
Gly-Pro-7-amido-4-methylcoumarin hydrobromide,
MFCD00152092,
A1-10302,
Gly-Pro-7-amido-4-methylcoumarin hydrobromide, dipeptidylpeptidase??IV substrate,
L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrobromide (9CI),
L-Prolinamide,glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,monohydrobromide(9ci),
H-Gly-Pro-AMC . HBr,
|
| Complexity | 574 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.268g/mol |
| Monoisotopic Mass | 409.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number