J9L
Summary
| Name: | (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one |
| Formula: | C15 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 271.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-2-(methylamino)-5-[(1~{R})-1-(4-methyl-1~{H}-indol-3-yl)ethyl]-1,3-oxazol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O2/c1-8-5-4-6-11-12(8)10(7-17-11)9(2)13-14(19)18-15(16-3)20-13/h4-7,9,13,17H,1-3H3,(H,16,18,19)/t9-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | SAVVFPXZFDVWPD-RNCFNFMXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c[nH]c3cccc(C)c23 |
| SMILES | CACTVS | 3.385 | CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(C)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1c(c[nH]2)C(C)C3C(=O)N=C(O3)NC |
