| CAS Number | 89131-11-3 |
| Catalog Number | AG003P84(AGN-PC-0OM1R4) |
| Chemical Name | Dabsyl-L-valine |
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutanoic acid |
| InChI | InChI=1S/C19H24N4O4S/c1-13(2)18(19(24)25)22-28(26,27)17-11-7-15(8-12-17)21-20-14-5-9-16(10-6-14)23(3)4/h5-13,18,22H,1-4H3,(H,24,25)/t18-/m0/s1 |
| InChI Key | AJSKPBGSGLIRQK-SFHVURJKSA-N |
| MDL Number | MFCD00059366 |
| Molecular Formula | C19H24N4O4S |
| Molecular Weight | 404.4833 |
| SMILES | CC(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-valine,
89131-11-3,
dabsylvaline,
Dbs-Val-OH,
4-Dimethylaminoazobenzene-4'-sulfonyl-L-valine,
SCHEMBL1008119,
DTXSID90555054,
MFCD00059366,
ZINC44075892,
ZINC255962316,
D1460,
FT-0772699,
C-46557,
N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-valine,
(S,E)-2-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonamido)-3-methylbutanoic acid,
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| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.485g/mol |
| Monoisotopic Mass | 404.152g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number