A1D7R
Summary
| Name: | (2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid |
| Synonyms: | 6-dimethylallyl-L-tryptophan |
| Formula: | C16 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.342 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-13-12(8-14(17)16(19)20)9-18-15(13)7-11/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | XPUOGJPNKWDYTE-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCc1ccc2c(C[C@H](N)C(O)=O)c[nH]c2c1 |
| SMILES | CACTVS | 3.385 | CC(C)=CCc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1ccc2c(c1)[nH]cc2CC(C(=O)O)N)C |
