M49
Summary
| Name: | N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide |
| Formula: | C14 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 275.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide |
| OpenEye OEToolkits | 1.7.6 | N-[2-[(3R)-5-acetamido-2-oxidanylidene-1,3-dihydroindol-3-yl]ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc2c(cc1)NC(=O)C2CCNC(=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H17N3O3/c1-8(18)15-6-5-11-12-7-10(16-9(2)19)3-4-13(12)17-14(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | AFKNIIZCTCAFIO-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)NCC[C@H]1C(=O)Nc2ccc(NC(C)=O)cc12 |
| SMILES | CACTVS | 3.370 | CC(=O)NCC[CH]1C(=O)Nc2ccc(NC(C)=O)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCC1c2cc(ccc2NC1=O)NC(=O)C |
