V3X
Summary
| Name: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide |
| Formula: | C16 H21 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 324.414 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H21FN2O2S/c1-9(2)15(22)16(21)19-11(8-20)6-10-7-18-13-5-3-4-12(17)14(10)13/h3-5,7,9,11,15,18,20,22H,6,8H2,1-2H3,(H,19,21)/t11-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | KKPTZRIROSBPNX-NHYWBVRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](S)C(=O)N[C@H](CO)Cc1c[nH]c2cccc(F)c12 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](S)C(=O)N[CH](CO)Cc1c[nH]c2cccc(F)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1c(ccc2)F)CO)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NC(Cc1c[nH]c2c1c(ccc2)F)CO)S |
