| CAS Number | 1337883-32-5 |
| Catalog Number | AG009CHN |
| Chemical Name | (S)-2-Amino-6-(3-(3-(3-methyl-3H-diazirin-3-yl)propyl)ureido)hexanoic acid |
| IUPAC Name | (2S)-2-amino-6-[3-(3-methyldiazirin-3-yl)propylcarbamoylamino]hexanoic acid |
| InChI | InChI=1S/C12H23N5O3/c1-12(16-17-12)6-4-8-15-11(20)14-7-3-2-5-9(13)10(18)19/h9H,2-8,13H2,1H3,(H,18,19)(H2,14,15,20)/t9-/m0/s1 |
| InChI Key | YGUIFRMUMYTGAV-VIFPVBQESA-N |
| MDL Number | MFCD28900721 |
| Molecular Formula | C12H23N5O3 |
| Molecular Weight | 285.3427 |
| SMILES | N[C@H](C(O)=O)CCCCNC(NCCCC1(N=N1)C)=O |
| Synonyms | DiZPK,
1337883-32-5,
3-(3-Methyl-3H-diazirin-3-yl)-propamino-carbonyl-Ne-L-lysine,
(S)-2-aMino-6-(3-(3-(3-Methyl-3H-diazirin-3-yl)propyl)ureido)hexanoic acid,
SCHEMBL18135320,
EX-A2530,
AKOS030526417,
ZINC199411347,
CS-4117,
HY-12801,
N6-((3-(3-methyl-3H-diazirin-3-yl)propyl)carbamoyl)-L-lysine,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.348g/mol |
| Monoisotopic Mass | 285.18g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 1760
|
Certificate of Analysis
Lot Number