A1B3X
Summary
| Name: | (3S)-1-[(2S)-1-acetyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name) |
| Formula: | C17 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 315.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2S)-1-acetyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name) |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[[(2~{R})-1-ethanoyl-2,3-dihydroindol-2-yl]carbonyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(C1Cc2ccccc2N1C(C)=O)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3O3/c1-11(21)20-14-7-3-2-5-12(14)9-15(20)17(23)19-8-4-6-13(10-19)16(18)22/h2-3,5,7,13,15H,4,6,8-10H2,1H3,(H2,18,22)/t13-,15?/m0/s1 |
| InChIKey | InChI | 1.06 | NNSQUXOVPSSSEM-CFMCSPIPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1[C@H](Cc2ccccc12)C(=O)N3CCC[C@@H](C3)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N1[CH](Cc2ccccc12)C(=O)N3CCC[CH](C3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1c2ccccc2C[C@@H]1C(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1c2ccccc2CC1C(=O)N3CCCC(C3)C(=O)N |
