| CAS Number | 89131-09-9 |
| Catalog Number | AG003P82(AGN-PC-0OM1R0) |
| Chemical Name | Dabsyl-L-proline |
| IUPAC Name | (2S)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C19H22N4O4S/c1-22(2)16-9-5-14(6-10-16)20-21-15-7-11-17(12-8-15)28(26,27)23-13-3-4-18(23)19(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,24,25)/t18-/m0/s1 |
| InChI Key | IIHLDMYXACDQGQ-SFHVURJKSA-N |
| MDL Number | MFCD00059729 |
| Molecular Formula | C19H22N4O4S |
| Molecular Weight | 402.4674 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)S(=O)(=O)N1CCC[C@H]1C(O)=O |
| Synonyms | Dabsyl-L-proline,
89131-09-9,
4-Dimethylaminoazobenzene-4'-sulfonyl-L-proline,
Dbs-Pro-OH,
L-Proline,1-[[4-[[4-(dimethylamino)phenyl]azo]phenyl]sulfonyl]- (9CI),
CTK5G2566,
DTXSID10555051,
MFCD00059729,
ZINC44075886,
ZINC255978705,
D1458,
C-44521,
1-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-proline,
(S,E)-1-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonyl)pyrrolidine-2-carboxylic acid,
(2S)-1-[(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}phenyl)sulfonyl]-2-pyrrolidinecarboxylic acid, AldrichCPR,
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| Complexity | 660 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.469g/mol |
| Monoisotopic Mass | 402.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number