| CAS Number | 201847-52-1 |
| Catalog Number | AG0027US(AGN-PC-0QSH1H) |
| Chemical Name | H-D-Ala-amc tfa |
| IUPAC Name | (2R)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m1./s1 |
| InChI Key | YYGKKBUKGNFDJW-DDWIOCJRSA-N |
| MDL Number | MFCD00151971 |
| Molecular Formula | C15H15F3N2O5 |
| Molecular Weight | 360.2852 |
| SMILES | C[C@@H](N)C(NC1=CC(O2)=C(C=C1)C(C)=CC2=O)=O.O=C(O)C(F)(F)F |
| Synonyms | 201847-52-1,
H-D-Ala-AMC TFA,
D-Alanine 7-amido-4-methylcoumarin, trifluoroacetate salt,
A-4220,
D-Alanine 7-amido-4-methylcoumarin trifluoroacetate salt,
(R)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide 2,2,2-trifluoroacetate,
H-D-Ala-amc?tfa,
CTK8F0620,
DTXSID90647362,
MFCD00151971,
AKOS026674347,
ACM201847521,
RT-012169,
(2R)-2-Amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide; 2,2,2-trifluoroacetic acid,
Trifluoroacetic acid--N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-D-alaninamide (1/1),
H-D-Ala-AMC . TFA,
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| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.289g/mol |
| Monoisotopic Mass | 360.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number