| CAS Number | 257288-23-6 |
| Catalog Number | AG00C4MG(AGN-PC-0R1IEO) |
| Chemical Name | H-Arg(Pbf)-Oall HCl |
| IUPAC Name | prop-2-enyl (2S)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoate;hydrochloride |
| InChI | InChI=1S/C22H34N4O5S.ClH/c1-7-11-30-20(27)17(23)9-8-10-25-21(24)26-32(28,29)19-14(3)13(2)18-16(15(19)4)12-22(5,6)31-18;/h7,17H,1,8-12,23H2,2-6H3,(H3,24,25,26);1H/t17-;/m0./s1 |
| InChI Key | AWGBWYKSQZNCFT-LMOVPXPDSA-N |
| MDL Number | MFCD01632060 |
| Molecular Formula | C22H35ClN4O5S |
| Molecular Weight | 503.0551 |
| SMILES | C=CCOC(=O)[C@H](CCC/N=C(/NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)N)N.Cl |
| Synonyms | 257288-23-6,
H-ARG(PBF)-OALL HCL,
H-Arg(Pbf)-allyl ester HCl,
C22H34N4O5S.HCl,
H-Arg(pbf)-oall hydrochloride,
7062AH,
MFCD01632060,
K-6718,
(S)-Allyl 2-amino-5-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)pentanoate hydrochloride,
H-Arg(Pbf)-allyl ester . HCl,
AWGBWYKSQZNCFT-LMOVPXPDSA-N,
|
| Complexity | 808 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.202g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 503.055g/mol |
| Monoisotopic Mass | 502.202g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 155A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number