| CAS Number | 3557-90-2 |
| Catalog Number | AG00CHQX(AGN-PC-0O99AN) |
| Chemical Name | H-Lys(4-Nitro-Z)-OH |
| IUPAC Name | (2S)-2-amino-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1 |
| InChI Key | XMTCOKGMBIHVBJ-LBPRGKRZSA-N |
| MDL Number | MFCD00237145 |
| Molecular Formula | C14H19N3O6 |
| Molecular Weight | 325.3172 |
| SMILES | N[C@@H](CCCCNC(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O |
| Synonyms | H-LYS(4-NITRO-Z)-OH,
3557-90-2,
(S)-2-Amino-6-((((4-nitrobenzyl)oxy)carbonyl)amino)hexanoic acid,
SCHEMBL1734137,
N-Epsilon-4-nitro-Z-L-lysine,
C14H19N3O6,
ZINC2560755,
7195AH,
MFCD00237145,
AKOS027327880,
ACM3557902,
AS-46901,
K-8047,
N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine,
(S)-2-amino-6-((4-nitrobenzyloxy)carbonylamino)hexanoic acid,
9UC,
CID11244255,
(2S)-2-amino-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoic Acid,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.321g/mol |
| Monoisotopic Mass | 325.127g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 148A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number