| CAS Number | 90291-46-6 |
| Catalog Number | AG003S7G(AGN-PC-0OMAH0) |
| Chemical Name | N-(1-Naphthalenesulfonyl)-L-phenylalanine |
| IUPAC Name | (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid |
| InChI | InChI=1S/C19H17NO4S/c21-19(22)17(13-14-7-2-1-3-8-14)20-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,20H,13H2,(H,21,22)/t17-/m0/s1 |
| InChI Key | NWHURKYFYGKGRT-KRWDZBQOSA-N |
| MDL Number | MFCD00191467 |
| Molecular Formula | C19H17NO4S |
| Molecular Weight | 355.4076 |
| SMILES | OC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=C2C=CC=CC2=CC=C1 |
| Synonyms | N-(1-Naphthalenesulfonyl)-L-phenylalanine,
90291-46-6,
N-(1-Naphthylsulfonyl)-l-phenylalanine,
CTK5G7616,
DTXSID70623462,
NWHURKYFYGKGRT-KRWDZBQOSA-N,
ZINC2556842,
ANW-39460,
MFCD00191467,
AKOS015840807,
N-(1-Naphthylsulfonyl)phenylalanine #,
N-(Naphthalene-1-sulfonyl)-L-phenylalanine,
TR-028390,
N0579,
N- -L-phenylalanine,
(S)-2-(Naphthalene-1-sulfonamido)-3-phenylpropanoic acid,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.408g/mol |
| Monoisotopic Mass | 355.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^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