Q2E
Summary
| Name: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal |
| Formula: | C12 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 250.317 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | ASASMVXRFIQKAP-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1[nH]c2ccccc2c1C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1c(c2ccccc2[nH]1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1c(c2ccccc2[nH]1)CC(C(=O)O)N |
