| CAS Number | 1597402-27-1 |
| Catalog Number | AG01EOQV(AGN-PC-3H46IF) |
| Chemical Name | (S)-2-Amino-3-(4-((5-amino-2-phenylbenzo[d]oxazol-7-yl)methoxy)-3,5-dichlorophenyl)propanoic acid dhydrochloride |
| IUPAC Name | (2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid;dihydrochloride |
| InChI | InChI=1S/C23H19Cl2N3O4.2ClH/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13;;/h1-7,9-10,18H,8,11,26-27H2,(H,29,30);2*1H/t18-;;/m0../s1 |
| InChI Key | MJSAOPNUSNNYQL-NTEVMMBTSA-N |
| MDL Number | MFCD31619323 |
| Molecular Formula | C23H21Cl4N3O4 |
| Molecular Weight | 545.2425 |
| SMILES | N[C@@H](CC2=CC(Cl)=C(C(Cl)=C2)OCC1=C(OC(C4=CC=CC=C4)=N3)C3=CC(N)=C1)C(O)=O.[H]Cl.[H]Cl |
| Synonyms | JPH203 Dihydrochloride,
1597402-27-1,
SCHEMBL18092329,
HY-U00445,
CS-0035398,
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| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 545.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 545.238g/mol |
| Monoisotopic Mass | 543.029g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number