| Molecular Formula | C27H32N2O6 |
| Canonicalized Compound | 1 |
| Compound Complexity | 758 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Rotatable Bond Count | 9 |
| Allowed IUPAC Name | (2S)-1-[(2S)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid |
| CAS-like Style IUPAC Name | (2S)-1-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]-2-pyrrolidinecarboxylic acid |
| Markup IUPAC Name | (2<I>S</I>)-1-[(2<I>S</I>)-2-(9<I>H</I>-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxylic acid |
| Preferred IUPAC Name | (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxylic acid |
| Systematic IUPAC Name | (2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxylic acid |
| Traditional IUPAC Name | (2S)-1-[(2S)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]proline |
| Standard InChI | InChI=1S/C27H32N2O6/c1-27(2,3)35-16-22(24(30)29-14-8-13-23(29)25(31)32)28-26(33)34-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,21-23H,8,13-16H2,1-3H3,(H,28,33)(H,31,32)/t22-,23-/m0/s1 |
| Standard InChIKey | ZEGKALAMRJSQJC-GOTSBHOMSA-N |
| XLogP3-AA Log P | 3.6 |
| Exact Mass | 480.22603674 |
| Molecular Weight | 480.6 |
| Isomeric SMILES | CC(C)(C)OC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Polar Surface Area Topological | 105 |
| MonoIsotopic Weight | 480.22603674 |
| Canonical SMILES | CC(C)(C)OCC(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Chemical Structure |  |
| Class | Specialty Materials |
