| CAS Number | 161452-54-6 |
| Catalog Number | AG01EL0V |
| Chemical Name | (2S)-2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]-4-methylpentanoic acid |
| IUPAC Name | (2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-methylpentanoic acid |
| InChI | InChI=1S/C23H26N2O5/c1-14(2)11-20(22(27)28)25-21(26)12-24-23(29)30-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)/t20-/m0/s1 |
| InChI Key | RSMQLXCBGDXRHB-FQEVSTJZSA-N |
| MDL Number | MFCD11850844 |
| Molecular Formula | C23H26N2O5 |
| Molecular Weight | 410.4629 |
| SMILES | CC(C[C@@H](C(O)=O)NC(CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O)C |
| Synonyms | 161452-54-6,
(2S)-2-(2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}acetamido)-4-methylpentanoic acid,
(2S)-2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]-4-methylpentanoic acid,
|
| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.47g/mol |
| Monoisotopic Mass | 410.184g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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