| CAS Number | 113712-08-6 |
| Catalog Number | AG0009FZ(AGN-PC-0P58Y8) |
| Chemical Name | L-Arginine 7-Amido-4-methylcoumarin Dihydrochloride |
| IUPAC Name | (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide;dihydrochloride |
| InChI | InChI=1S/C16H21N5O3.2ClH/c1-9-7-14(22)24-13-8-10(4-5-11(9)13)21-15(23)12(17)3-2-6-20-16(18)19;;/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,21,23)(H4,18,19,20);2*1H/t12-;;/m0../s1 |
| InChI Key | QMGJRBUFCDSWOX-LTCKWSDVSA-N |
| MDL Number | MFCD00155578 |
| Molecular Formula | C16H23Cl2N5O3 |
| Molecular Weight | 404.2915 |
| SMILES | NN=CNCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N.Cl.Cl |
| Synonyms | 113712-08-6,
L-Arginine 7-amido-4-methylcoumarin dihydrochloride,
L-Arginine 7-amido-4- methylcoumarin dihydrochloride,
A-8700,
AC1MBZPC,
H-Arg-AMC . 2 HCI,
C16H21N5O3.2HCl,
CTK8E9431,
7296AH,
MFCD00155578,
AKOS030241574,
RT-013505,
ST50826331,
(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide dihydrochloride,
(2S)-5-(amidinoamino)-2-amino-N-(4-methyl-2-oxochromen-7-yl)pentanamide, chlor ide, chloride,
QMGJRBUFCDSWOX-LTCKWSDVSA-N,
CID2733800,
CID 2733800,
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| Complexity | 542 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.292g/mol |
| Monoisotopic Mass | 403.118g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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