| CAS Number | 62020-53-5 |
| Catalog Number | AG00EJC9(AGN-PC-0T2LAX) |
| Chemical Name | Bpoc-Thr(Tbu)-Osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoate |
| InChI | InChI=1S/C28H34N2O7/c1-18(35-27(2,3)4)24(25(33)37-30-22(31)16-17-23(30)32)29-26(34)36-28(5,6)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-15,18,24H,16-17H2,1-6H3,(H,29,34)/t18-,24+/m1/s1 |
| InChI Key | SSETYDOAFGWCOY-KOSHJBKYSA-N |
| MDL Number | MFCD00236886 |
| Molecular Formula | C28H34N2O7 |
| Molecular Weight | 510.5788 |
| SMILES | O=C(OC(c1ccc(cc1)c1ccccc1)(C)C)N[C@@H]([C@H](OC(C)(C)C)C)C(=O)ON1C(=O)CCC1=O |
| Synonyms | BPOC-THR(TBU)-OSU,
62020-53-5,
6467AH,
KM0567,
MFCD00236886,
ZINC71788263,
C28H34N2O7,
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| Complexity | 820 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 510.237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 510.587g/mol |
| Monoisotopic Mass | 510.237g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number