| CAS Number | 883985-06-6 |
| Catalog Number | AG00IF33(AGN-PC-0WOJUP) |
| Chemical Name | (R)-1-Benzyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate |
| IUPAC Name | 1-O-benzyl 5-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate |
| InChI | InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-14(10-11-15(20)23-4)16(21)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)/t14-/m1/s1 |
| InChI Key | FBKNYLGPAZLJGL-CQSZACIVSA-N |
| MDL Number | MFCD13184782 |
| Molecular Formula | C18H25NO6 |
| Molecular Weight | 351.3942 |
| SMILES | COC(=O)CC[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C |
| Synonyms | 883985-06-6,
(R)-1-Benzyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate,
(R)-1-benzyl-5-methyl-2-((tert-butoxycarbonyl)amino)pentanedioate,
ZINC95936539,
AKOS027439786,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.399g/mol |
| Monoisotopic Mass | 351.168g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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