| CAS Number | 245443-52-1 |
| Catalog Number | AG00BCWF(AGN-PC-0O873I) |
| Chemical Name | H-GLY-TYR-PRO-GLY-LYS-PHE-NH2 |
| IUPAC Name | 1-[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]-N-[2-[[6-amino-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C33H46N8O7/c34-15-5-4-9-24(31(46)40-25(30(36)45)17-21-7-2-1-3-8-21)38-29(44)20-37-32(47)27-10-6-16-41(27)33(48)26(39-28(43)19-35)18-22-11-13-23(42)14-12-22/h1-3,7-8,11-14,24-27,42H,4-6,9-10,15-20,34-35H2,(H2,36,45)(H,37,47)(H,38,44)(H,39,43)(H,40,46) |
| InChI Key | NAIYNSCJEHHFMV-UHFFFAOYSA-N |
| MDL Number | MFCD08274136 |
| Molecular Formula | C33H46N8O7 |
| Molecular Weight | 666.7677 |
| SMILES | C(N)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1C=CC(O)=CC=1)NC(=O)CN |
| Synonyms | Protease-Activated Receptor-4,
245443-52-1,
|
| Complexity | 1090 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 666.349g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 666.78g/mol |
| Monoisotopic Mass | 666.349g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 252A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number