| CAS Number | 57225-25-9 |
| Catalog Number | AG00EJC6(AGN-PC-0SN7V9) |
| Chemical Name | Boc-orn(z)-osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate |
| InChI | InChI=1S/C22H29N3O8/c1-22(2,3)32-21(30)24-16(19(28)33-25-17(26)11-12-18(25)27)10-7-13-23-20(29)31-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,23,29)(H,24,30)/t16-/m0/s1 |
| InChI Key | AQJOXCKZJOXIAK-INIZCTEOSA-N |
| MDL Number | MFCD00236870 |
| Molecular Formula | C22H29N3O8 |
| Molecular Weight | 463.4810 |
| SMILES | O=C(OCc1ccccc1)NCCC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C |
| Synonyms | BOC-ORN(Z)-OSU,
57225-25-9,
C22H29N3O8,
6428AH,
KM0078,
MFCD00236870,
ZINC71788037,
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| Complexity | 712 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 463.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 463.487g/mol |
| Monoisotopic Mass | 463.195g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 140A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number