| CAS Number | 2070009-61-7 |
| Catalog Number | AG01EO51(AGN-PC-3H4672) |
| Chemical Name | Z-Gly-Gly-Arg-AMC (acetate) |
| IUPAC Name | acetic acid;benzyl N-[2-[[2-[[(2R)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate |
| InChI | InChI=1S/C28H33N7O7.C2H4O2/c1-17-12-25(38)42-22-13-19(9-10-20(17)22)34-26(39)21(8-5-11-31-27(29)30)35-24(37)15-32-23(36)14-33-28(40)41-16-18-6-3-2-4-7-18;1-2(3)4/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,37)(H4,29,30,31);1H3,(H,3,4)/t21-;/m1./s1 |
| InChI Key | AVVGJZBMODPHEX-ZMBIFBSDSA-N |
| MDL Number | MFCD29472228 |
| Molecular Formula | C30H37N7O9 |
| Molecular Weight | 639.6563 |
| SMILES | C(C)(=O)O.N(C(=N)N)CCC[C@@H](C(=O)NC1=CC=C2C(=CC(OC2=C1)=O)C)NC(CNC(CNC(OCC1=CC=CC=C1)=O)=O)=O |
| Synonyms | Z-Gly-Gly-Arg-AMC acetate,
2070009-61-7,
|
| Complexity | 1070 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 639.265276g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 639.7g/mol |
| Monoisotopic Mass | 639.265276g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 254Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number