| CAS Number | 97685-00-2 |
| Catalog Number | AG003P83(AGN-PC-0OOP7V) |
| Chemical Name | Dabsyl-L-tryptophan |
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C25H25N5O4S/c1-30(2)20-11-7-18(8-12-20)27-28-19-9-13-21(14-10-19)35(33,34)29-24(25(31)32)15-17-16-26-23-6-4-3-5-22(17)23/h3-14,16,24,26,29H,15H2,1-2H3,(H,31,32)/t24-/m0/s1 |
| InChI Key | SGKGZXUAHWJTIA-DEOSSOPVSA-N |
| MDL Number | MFCD00059700 |
| Molecular Formula | C25H25N5O4S |
| Molecular Weight | 491.5621 |
| SMILES | C([C@H](NS(=O)(=O)C1=CC=C(N=NC2=CC=C(N(C)C)C=C2)C=C1)C(O)=O)C=3C=4C(NC3)=CC=CC4 |
| Synonyms | Dabsyl-L-tryptophan,
97685-00-2,
Dbs-Trp-OH,
DTXSID30555053,
MFCD00059700,
ZINC44075889,
ZINC256001244,
D1459,
FT-0770958,
4-Dimethylaminoazobenzene-4'-sulfonyl-L-tryptophan,
C-44513,
N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-tryptophan,
(S,E)-2-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonamido)-3-(1H-indol-3-yl)propanoic acid,
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| Complexity | 829 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 491.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 491.566g/mol |
| Monoisotopic Mass | 491.163g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number