| CAS Number | 16879-94-0 |
| Catalog Number | AG00APY7(AGN-PC-0Q9APU) |
| Chemical Name | z-lys(tos)-onp |
| IUPAC Name | (4-nitrophenyl) (2S)-6-[(4-methylphenyl)sulfonylamino]-2-(phenylmethoxycarbonylamino)hexanoate |
| InChI | InChI=1S/C27H29N3O8S/c1-20-10-16-24(17-11-20)39(35,36)28-18-6-5-9-25(29-27(32)37-19-21-7-3-2-4-8-21)26(31)38-23-14-12-22(13-15-23)30(33)34/h2-4,7-8,10-17,25,28H,5-6,9,18-19H2,1H3,(H,29,32)/t25-/m0/s1 |
| InChI Key | AITUCSPPSVJLOY-VWLOTQADSA-N |
| MDL Number | MFCD00237353 |
| Molecular Formula | C27H29N3O8S |
| Molecular Weight | 555.5995 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | Z-Lys(Tos)-Onp,
16879-94-0,
7939AH,
MFCD00237353,
ZINC71788245,
AS-46837,
Z-N-Epsilon-4-toluenesulfonyl-L-lysine 4-nitrophenyl ester,
(S)-4-nitrophenyl 2-(benzyloxycarbonylamino)-6-(4-methylphenylsulfonamido)hexanoate,
C27H29N3O8S,
|
| Complexity | 882 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 555.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 555.602g/mol |
| Monoisotopic Mass | 555.168g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number