| CAS Number | 24277-38-1 |
| Catalog Number | AG00BBXP(AGN-PC-0R04W3) |
| Chemical Name | (S)-1-tert-Butyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate |
| IUPAC Name | 1-O-tert-butyl 5-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate |
| InChI | InChI=1S/C15H27NO6/c1-14(2,3)21-12(18)10(8-9-11(17)20-7)16-13(19)22-15(4,5)6/h10H,8-9H2,1-7H3,(H,16,19)/t10-/m0/s1 |
| InChI Key | IURKEBKDWQGPJJ-JTQLQIEISA-N |
| MDL Number | MFCD27578332 |
| Molecular Formula | C15H27NO6 |
| Molecular Weight | 317.3780 |
| SMILES | COC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C |
| Synonyms | 24277-38-1,
(S)-1-tert-Butyl 5-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate,
IURKEBKDWQGPJJ-JTQLQIEISA-N,
Boc-Glu(OMe)-OtBu,
SCHEMBL2390166,
ZINC34770281,
ACN-048391,
(S)-1-tert-Butyl 5-methyl 2-(tert-butoxycarbonylamino)pentanedioate,
N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl 5-methyl ester,
1-tert-butyl 5-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioate,
N-tert.-butyloxycarbonyl-L-glutamic acid 5-methyl ester 1-tert.-butyl ester,
1-O-tert-butyl 5-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate,
Nalpha-tert.-butyloxycarbonyl-L-glutamic acid 5-methyl ester 1-tert.-butyl ester,
CID11120686,
Tert-butyl Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.382g/mol |
| Monoisotopic Mass | 317.184g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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