| CAS Number | 852391-55-0 |
| Catalog Number | AG00IDLL(AGN-PC-0WOJIE) |
| Chemical Name | L-Tryptophan, n-acetyl-7-chloro- |
| IUPAC Name | (2S)-2-acetamido-3-(7-chloro-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C13H13ClN2O3/c1-7(17)16-11(13(18)19)5-8-6-15-12-9(8)3-2-4-10(12)14/h2-4,6,11,15H,5H2,1H3,(H,16,17)(H,18,19)/t11-/m0/s1 |
| InChI Key | KHKMVRUWPPZUMF-NSHDSACASA-N |
| MDL Number | MFCD28386911 |
| Molecular Formula | C13H13ClN2O3 |
| Molecular Weight | 280.7069 |
| SMILES | CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2Cl)C(O)=O |
| Synonyms | 852391-55-0,
N-ACETYL-7-CHLORO-L-TRYPTOPHAN,
L-Tryptophan,N-acetyl-7-chloro-,
L-Tryptophan, N-acetyl-7-chloro-,
SCHEMBL837864,
MFCD28386911,
AS-48469,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.708g/mol |
| Monoisotopic Mass | 280.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number