| CAS Number | 112160-37-9 |
| Catalog Number | AG008Y6V(AGN-PC-0P325G) |
| Chemical Name | H-Arg(pmc)-oh |
| EC Number | 601-168-3 |
| IUPAC Name | (2S)-2-amino-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoic acid |
| InChI | InChI=1S/C20H32N4O5S/c1-11-12(2)17(13(3)14-8-9-20(4,5)29-16(11)14)30(27,28)24-19(22)23-10-6-7-15(21)18(25)26/h15H,6-10,21H2,1-5H3,(H,25,26)(H3,22,23,24)/t15-/m0/s1 |
| InChI Key | USJFAMZEBZRDAJ-HNNXBMFYSA-N |
| MDL Number | MFCD00153419 |
| Molecular Formula | C20H32N4O5S |
| Molecular Weight | 440.5569 |
| SMILES | N=C(NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(O2)(C)C)NCCC[C@@H](C(=O)O)N |
| Synonyms | H-Arg(Pmc)-OH,
112160-37-9,
SCHEMBL4437400,
USJFAMZEBZRDAJ-HNNXBMFYSA-N,
ZINC2526293,
7064AH,
MFCD00153419,
omega-(2,2,5,7,8-Pentamethylchroman-6-ylsulfonyl)-L-arginine,
(S)-2-amino-5-(3-(2,2,5,7,8-pentamethylchroman-6-ylsulfonyl)guanidino)pentanoic acid,
C20H32N4O5S,
CID11704859,
CID 11704859,
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| Complexity | 749 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.559g/mol |
| Monoisotopic Mass | 440.209g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 166A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number