| CAS Number | 65147-21-9 |
| Catalog Number | AG00EC5V(AGN-PC-0TFKYU) |
| Chemical Name | H-Pro-Phe-Arg-AMC acetate salt |
| IUPAC Name | N-[1-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C30H37N7O5.ClH/c1-18-15-26(38)42-25-17-20(11-12-21(18)25)35-28(40)23(10-6-14-34-30(31)32)36-29(41)24(16-19-7-3-2-4-8-19)37-27(39)22-9-5-13-33-22;/h2-4,7-8,11-12,15,17,22-24,33H,5-6,9-10,13-14,16H2,1H3,(H,35,40)(H,36,41)(H,37,39)(H4,31,32,34);1H |
| InChI Key | QYFPUTDFLKFOBA-UHFFFAOYSA-N |
| MDL Number | MFCD06795778 |
| Molecular Formula | C30H37N7O5 |
| Molecular Weight | 575.6587 |
| SMILES | CC=1C=2C(=CC(NC([C@@H](NC([C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4)=O)CCCNC(=N)N)=O)=CC2)OC(=O)C1 |
| Synonyms | Pro-Phe-Arg-MCA,
prolyl-phenylalanyl-arginine-4-methylcoumaryl-7-amide,
65147-21-9,
Pro-Phe-Arg-7-amido-4-methylcoumarin,
H-PRO-PHE-ARG-AMC ACETATE SALT,
pro-phe-arg-7-amido-4-methyl coumarin,
Pro-Phe-Arg-7-amido-4-methylcoumarin, >=95%,
Pro-phe-arg-mca,
Prolyl-phenylalanyl-arginine-4-methylcoumaryl-7-amide,
|
| Complexity | 1040 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 611.262g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 612.128g/mol |
| Monoisotopic Mass | 611.262g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 190A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number