| CAS Number | 117467-73-9 |
| Catalog Number | AG000ECS(AGN-PC-0NZALD) |
| Chemical Name | Z-D-Phe(4-F)-OH |
| IUPAC Name | (2R)-3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C17H16FNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m1/s1 |
| InChI Key | YJSNXFAVHKHBPV-OAHLLOKOSA-N |
| MDL Number | MFCD00797571 |
| Molecular Formula | C17H16FNO4 |
| Molecular Weight | 317.3116 |
| SMILES | O=C(O)[C@H](NC(OCC1=CC=CC=C1)=O)CC2=CC=C(F)C=C2 |
| Synonyms | CBZ-4-FLUORO-D-PHE,
117467-73-9,
Z-D-Phe(4-F)-OH,
J-300408,
D-Phenylalanine, 4-fluoro-N-[(phenylmethoxy)carbonyl]-,
Cbz-D-Phe(4-F)-OH,
Z-4-fluoro-D-phenylalanine,
Cbz-4-Fluoro-D-Phenylalanine,
SCHEMBL8258487,
CBZ-D-4-FLUOROPHENYLALANINE,
ZINC2569512,
MFCD00797571,
AKOS015910918,
K-1205,
I14-38990,
(R)-2-(benzyloxycarbonylamino)-3-(4-fluorophenyl)propanoic acid,
Not Available,
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-fluorophenyl)propanoicacid,
(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.316g/mol |
| Monoisotopic Mass | 317.106g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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