| CAS Number | 344779-17-5 |
| Catalog Number | AG01F2BI(AGN-PC-3H48LC) |
| Chemical Name | 4-(3-Tert-butoxycarbonylaminopropionylamino)-1-methyl-1h-imidazole-2-carboxylic acid |
| IUPAC Name | 1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]imidazole-2-carboxylic acid |
| InChI | InChI=1S/C13H20N4O5/c1-13(2,3)22-12(21)14-6-5-9(18)15-8-7-17(4)10(16-8)11(19)20/h7H,5-6H2,1-4H3,(H,14,21)(H,15,18)(H,19,20) |
| InChI Key | MGYNKSFQJAIIPH-UHFFFAOYSA-N |
| MDL Number | MFCD04116420 |
| Molecular Formula | C13H20N4O5 |
| Molecular Weight | 312.3217 |
| SMILES | C1(=NC(NC(=O)CCNC(OC(C)(C)C)=O)=CN1C)C(O)=O |
| Synonyms | 344779-17-5,
4-(3-tert-butoxycarbonylaminopropionylamino)-1-methyl-1h-imidazole-2-carboxylic acid,
4-(3-((tert-Butoxycarbonyl)amino)propanamido)-1-methyl-1H-imidazole-2-carboxylic acid,
4-(3-tert-Butoxycarbonylaminopropionylamino) -1-methyl-1H-imidazole-2-carboxylic acid,
AC1MBVE4,
SCHEMBL13845507,
CTK7G8213,
ZINC2528672,
AKOS027385469,
1-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]imidazole-2-carboxylic Acid,
4-(3-(tert-butoxycarbonylamino)propanamido)-1-methyl-1H-imidazole-2-carboxylic acid,
4-[[3-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-1-methyl-1H-imidazole-2-carboxylic acid,
CID2757232,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.326g/mol |
| Monoisotopic Mass | 312.143g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number