| CAS Number | 68973-36-4 |
| Catalog Number | AG00FB75(AGN-PC-0TU5VV) |
| Chemical Name | Z-Lys-obzl benzenesulfonate |
| IUPAC Name | benzenesulfonic acid;benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate |
| InChI | InChI=1S/C21H26N2O4.C6H6O3S/c22-14-8-7-13-19(20(24)26-15-17-9-3-1-4-10-17)23-21(25)27-16-18-11-5-2-6-12-18;7-10(8,9)6-4-2-1-3-5-6/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1-5H,(H,7,8,9)/t19-;/m0./s1 |
| InChI Key | ZYQPTGXDPNAHSO-FYZYNONXSA-N |
| MDL Number | MFCD00077024 |
| Molecular Formula | C27H32N2O7S |
| Molecular Weight | 528.6172 |
| SMILES | O=C(N[C@H](C(OCC1=CC=CC=C1)=O)CCCCN)OCC2=CC=CC=C2.OS(C3=CC=CC=C3)(=O)=O |
| Synonyms | 68973-36-4,
Z-LYS-OBZL BENZENESULFONATE,
Z-L-Lysine benzyl ester benzenesulfonate,
(S)-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanoate benzenesulfonate,
C21H26N2O4.C6H6O3S,
z-Lys-obzl?benzenesulfonate,
7941AH,
KM1232,
MFCD00077024,
AS-46942,
FT-0774178,
C-54842,
(S)-benzyl 6-amino-2-(benzyloxycarbonylamino)hexanoate benzenesulfonate,
Z-Lys-OBzl . benzenesulfonate,
ZYQPTGXDPNAHSO-FYZYNONXSA-N,
|
| Complexity | 615 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.62g/mol |
| Monoisotopic Mass | 528.193g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 153A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number