16U
Summary
| Name: | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide |
| Formula: | C18 H25 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 336.856 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-N-[(3-chlorophenyl)methyl]-1-(4-methylpentanoyl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1cccc(Cl)c1)C2N(C(=O)CCC(C)C)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.370 | CC(C)CCC(=O)N1CCC[CH]1C(=O)NCc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CCC(=O)N1CCCC1C(=O)NCc2cccc(c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | PQUULPKGCNPPBX-INIZCTEOSA-N |
