| CAS Number | 193091-13-3 |
| Catalog Number | AG007R15(AGN-PC-0QLTFG) |
| Chemical Name | (2S,3'S)-2-(4'-Boc-3'-benzyl-2'-oxo-piperazin-1-yl)-3-phenyl-propionic acid |
| IUPAC Name | 2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid |
| InChI | InChI=1S/C25H30N2O5/c1-25(2,3)32-24(31)27-15-14-26(21(23(29)30)17-19-12-8-5-9-13-19)22(28)20(27)16-18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3,(H,29,30) |
| InChI Key | PMBMICXKUORYBM-UHFFFAOYSA-N |
| MDL Number | MFCD06656453 |
| Molecular Formula | C25H30N2O5 |
| Molecular Weight | 438.5161 |
| SMILES | O=C1N(CCN(C1Cc1ccccc1)C(=O)OC(C)(C)C)C(C(=O)O)Cc1ccccc1 |
| Synonyms | 193091-13-3,
(2S,3'S)-2-(4'-Boc-3'-benzyl-2'-oxo-piperazin-1-yl)-3-phenylpropionic acid,
(S)-2-((S)-3-Benzyl-4-(tert-butoxycarbonyl)-2-oxopiperazin-1-yl)-3-phenylpropanoic acid,
AC1NFQWG,
CTK8F0333,
DTXSID50405728,
AKOS030241694,
RT-005420,
2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-phenylpropanoic acid,
CID4712537,
2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-piperazin-1-yl]-3-phenyl-propanoic Acid,
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| Complexity | 662 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.524g/mol |
| Monoisotopic Mass | 438.215g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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