| CAS Number | 98516-74-6 |
| Catalog Number | AG00IK48(AGN-PC-0W8B4S) |
| Chemical Name | H-Ile-Amc |
| IUPAC Name | (2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide |
| InChI | InChI=1S/C16H20N2O3/c1-4-9(2)15(17)16(20)18-11-5-6-12-10(3)7-14(19)21-13(12)8-11/h5-9,15H,4,17H2,1-3H3,(H,18,20)/t9-,15-/m0/s1 |
| InChI Key | MLILEIUKVIPULY-VFZGTOFNSA-N |
| MDL Number | MFCD18251342 |
| Molecular Formula | C16H20N2O3 |
| Molecular Weight | 288.3416 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)NC1=CC2=C(C=C1)C(C)=CC(=O)O2 |
| Synonyms | H-Ile-Amc,
98516-74-6,
(2S,3S)-2-Amino-3-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide,
H-Ile-MCA (free base),
L-Ile-AMC,
L-I-AMC,
L-Ile-7-Amino-4-Methylcoumarin,
ZINC2517185,
7180AH,
MFCD00152115,
AKOS022186048,
AJ-37049,
AK144292,
AS-49217,
ST24034123,
C16H20N2O3,
CID7015858,
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxo-chromen-7-yl)pentanamide,
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| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.347g/mol |
| Monoisotopic Mass | 288.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number