| CAS Number | 858034-72-7 |
| Catalog Number | AG00IDS8(AGN-PC-0WR6Y3) |
| Chemical Name | 1-tert-butyl 4-methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanedioate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate |
| InChI | InChI=1S/C24H27NO6/c1-24(2,3)31-22(27)20(13-21(26)29-4)25-23(28)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,28)/t20-/m0/s1 |
| InChI Key | HZKHDOBWFBYJPA-FQEVSTJZSA-N |
| MDL Number | MFCD27578279 |
| Molecular Formula | C24H27NO6 |
| Molecular Weight | 425.4743 |
| SMILES | COC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | 1-TERT-BUTYL 4-METHYL (2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}BUTANEDIOATE,
858034-72-7,
SCHEMBL2439000,
ZINC97756754,
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| Complexity | 635 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.481g/mol |
| Monoisotopic Mass | 425.184g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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