| CAS Number | 133628-73-6 |
| Catalog Number | AG0080C6(AGN-PC-0O14GO) |
| Chemical Name | H-Asp(amc)-oh |
| IUPAC Name | (2S)-2-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C14H14N2O5/c1-7-4-13(18)21-11-5-8(2-3-9(7)11)16-12(17)6-10(15)14(19)20/h2-5,10H,6,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1 |
| InChI Key | ARZPQBJTLVVDNP-JTQLQIEISA-N |
| MDL Number | MFCD00236804 |
| Molecular Formula | C14H14N2O5 |
| Molecular Weight | 290.2714 |
| SMILES | CC1C2C=CC(=CC=2OC(=O)C=1)NC(=O)C[C@@H](C(=O)O)N |
| Synonyms | H-Asp(Amc)-OH,
133628-73-6,
L-Aspartic acid |A-(7-amido-4-methylcoumarin),
L-Aspartic acid beta-(7-amido-4-methylcoumarin),
AC1LELXN,
AC1Q2HE6,
ZINC57176,
7077AH,
MFCD00236804,
AKOS030213010,
L-Aspartic acid b-7-amido-4-methylcoumarin,
L-Aspartic acid 4-(4-methyl-7-coumarinylamide),
L-Aspartic acid b-(4-methyl-7-coumarinylamide),
L-Aspartic acid |A-(4-methyl-7-coumarinylamide),
L-Aspartic acid pound]-(7-amido-4-methylcoumarin),
(2S)-2-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid,
L-Aspartic acid beta-(7-amido-4-methylcoumarin), fluorescent amino acid,
C14H14N2O5,
CID688365,
2-amino-3-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]propanoic Acid,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.275g/mol |
| Monoisotopic Mass | 290.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number