| CAS Number | 97684-99-6 |
| Catalog Number | AG003P81(AGN-PC-0OOP7S) |
| Chemical Name | Dabsyl-L-methionine , |
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C19H24N4O4S2/c1-23(2)16-8-4-14(5-9-16)20-21-15-6-10-17(11-7-15)29(26,27)22-18(19(24)25)12-13-28-3/h4-11,18,22H,12-13H2,1-3H3,(H,24,25)/t18-/m0/s1 |
| InChI Key | YGFUZBPDTRWEQW-SFHVURJKSA-N |
| MDL Number | MFCD00059323 |
| Molecular Formula | C19H24N4O4S2 |
| Molecular Weight | 436.5483 |
| SMILES | CSCC[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-methionine,
97684-99-6,
dabsyl-methionine,
Dbs-Met-OH,
CHEMBL3526650,
DTXSID50555050,
MFCD00059323,
ZINC13512749,
ZINC256013117,
D1457,
FT-0770524,
4-Dimethylaminoazobenzene-4'-sulfonyl-L-methionine,
C-46531,
N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-methionine,
(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid,
(2S)-2-{[(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}phenyl)sulfonyl]amino}-4-(methylsulfanyl)butanoic acid, AldrichCPR,
(S,E)-2-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonamido)-4-(methylthio)butanoic acid,
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| Complexity | 635 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.545g/mol |
| Monoisotopic Mass | 436.124g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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