| CAS Number | 119349-24-5 |
| Catalog Number | AG01EKIM(AGN-PC-002Q2R) |
| Chemical Name | 2-((tert-butoxycarbonyl)amino)-3-(3-phenoxyphenyl)propanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenoxyphenyl)propanoic acid |
| InChI | InChI=1S/C20H23NO5/c1-20(2,3)26-19(24)21-17(18(22)23)13-14-8-7-11-16(12-14)25-15-9-5-4-6-10-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23) |
| InChI Key | FNVJDYQQJDPXDX-UHFFFAOYSA-N |
| MDL Number | MFCD31689493 |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.4003 |
| SMILES | CC(OC(NC(C(O)=O)CC1=CC(OC2=CC=CC=C2)=CC=C1)=O)(C)C |
| Synonyms | SCHEMBL7273147,
FNVJDYQQJDPXDX-UHFFFAOYSA-N,
N-(t-butoxycarbonyl)-3-phenoxy-DL-phenylalanine,
2-{[(tert-butoxy)carbonyl]amino}-3-(3-phenoxyphenyl)propanoic acid,
119349-24-5,
|
| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.406g/mol |
| Monoisotopic Mass | 357.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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