| CAS Number | 1253643-88-7 |
| Catalog Number | AG00VQUG(AGN-PC-0WNOX7) |
| Chemical Name | (2S)-2-amino-6-({[2-(3-methyl-3H-diazirin-3-yl)ethoxy]carbonyl}amino)hexanoic acid |
| IUPAC Name | (2S)-2-amino-6-[2-(3-methyldiazirin-3-yl)ethoxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C11H20N4O4/c1-11(14-15-11)5-7-19-10(18)13-6-3-2-4-8(12)9(16)17/h8H,2-7,12H2,1H3,(H,13,18)(H,16,17)/t8-/m0/s1 |
| InChI Key | LUCMNTLJAFTFDU-QMMMGPOBSA-N |
| MDL Number | MFCD28133397 |
| Molecular Formula | C11H20N4O4 |
| Molecular Weight | 272.3009 |
| SMILES | CC1(N=N1)CCOC(NCCCC[C@@H](C(O)=O)N)=O |
| Synonyms | 1253643-88-7,
SCHEMBL875173,
ZINC98052707,
AKOS024458501,
N6-[[2-(3-Methyl-3H-diazirin-3-yl)ethoxy]carbonyl]-L-lysine,
(S)-2-amino-6-((2-(3-methyl-3H-diazirin-3-yl)ethoxy)carbonylamino)hexanoic acid hydrochloride,
LUCMNTLJAFTFDU-QMMMGPOBSA-N,
ABK,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.305g/mol |
| Monoisotopic Mass | 272.148g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number