| CAS Number | 1345808-25-4 |
| Catalog Number | AG009C91 |
| Chemical Name | Arginase inhibitor 1 |
| IUPAC Name | (2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid |
| InChI | InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1 |
| InChI Key | CHPILBYRQPOXMV-CYBMUJFWSA-N |
| MDL Number | MFCD28167713 |
| Molecular Formula | C13H27BN2O4 |
| Molecular Weight | 286.1755 |
| SMILES | [C@](CCN1CCCCC1)(CCCCB(O)O)(C(O)=O)N |
| Synonyms | Arginase inhibitor 1,
1345808-25-4,
CHEMBL2326089,
SCHEMBL895025,
GTPL9017,
BDBM50427900,
ZINC170183242,
compound 9 [PMID: 23472952],
CS-1736,
HY-15775,
(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid,
(R)-2-Amino-6-(dihydroxyboryl)-2-(2-piperidinoethyl)hexanoic acid,
(r)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl) hexanoic acid,
(R)-2-AMINO-6-BORONO-2-(2-(PIPERIDIN-1-YL)ETHYL)HEXANOIC ACID,
(R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]hexanoic acid (ABH-PE),
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.179g/mol |
| Monoisotopic Mass | 286.206g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number