| CAS Number | 89131-12-4 |
| Catalog Number | AG003P80(AGN-PC-0OM1R6) |
| Chemical Name | Dabsyl-L-leucine |
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-4-methylpentanoic acid |
| InChI | InChI=1S/C20H26N4O4S/c1-14(2)13-19(20(25)26)23-29(27,28)18-11-7-16(8-12-18)22-21-15-5-9-17(10-6-15)24(3)4/h5-12,14,19,23H,13H2,1-4H3,(H,25,26)/t19-/m0/s1 |
| InChI Key | DYCBTNVNACPQRN-IBGZPJMESA-N |
| MDL Number | MFCD00059354 |
| Molecular Formula | C20H26N4O4S |
| Molecular Weight | 418.5098 |
| SMILES | CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)N(C)C)C(O)=O |
| Synonyms | Dabsyl-L-leucine,
89131-12-4,
Dbs-Leu-OH,
DTXSID40555049,
MFCD00059354,
ZINC43505222,
ZINC255970625,
D1456,
FT-0771981,
4-Dimethylaminoazobenzene-4'-sulfonyl-L-leucine,
C-46550,
N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-leucine,
(S,E)-2-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonamido)-4-methylpentanoic acid,
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| Complexity | 644 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.512g/mol |
| Monoisotopic Mass | 418.167g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number