| CAS Number | 86117-53-5 |
| Catalog Number | AG00IDWX(AGN-PC-0OK588) |
| Chemical Name | D-Phenylalanine, N-[(4-methylphenyl)sulfonyl]- |
| IUPAC Name | (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m1/s1 |
| InChI Key | CGRCVIZBNRUWLY-OAHLLOKOSA-N |
| MDL Number | MFCD15071654 |
| Molecular Formula | C16H17NO4S |
| Molecular Weight | 319.3755 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)O |
| Synonyms | N-TOSYL-D-PHENYLALANINE,
86117-53-5,
(R)-2-(4-methylphenylsulfonamido)-3-phenylpropanoic acid,
AC1LEHZN,
N-tosyl-r-phenylalanine,
SCHEMBL1203540,
KS-00000LER,
ZINC53904,
DTXSID30350707,
CGRCVIZBNRUWLY-OAHLLOKOSA-N,
N-p-toluenesulfonyl-D-phenylalanine,
ACT10456,
MFCD15071654,
DS-12202,
D-Phenylalanine, N-[(4-methylphenyl)sulfonyl]-,
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid,
N-Tos-D-Phe-OH,
CID686492,
NSC211907,
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| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.375g/mol |
| Monoisotopic Mass | 319.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number