ILV
Summary
| Name: | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one |
| Synonyms: | Indolactam V |
| Formula: | C17 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 301.383 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C1N(c3c2c(CC(NC1=O)CO)cnc2ccc3)C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | LUZOFMGZMUZSSK-LRDDRELGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23 |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1N(C)c2cccc3[nH]cc(C[CH](CO)NC1=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3)N1C)CO |
