V6W
Summary
| Name: | NE-Acetyl-L-tryptophan |
| Formula: | C13 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 262.261 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[1-(2-hydroxy-2-oxoethyl)indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H14N2O4/c14-10(13(18)19)5-8-6-15(7-12(16)17)11-4-2-1-3-9(8)11/h1-4,6,10H,5,7,14H2,(H,16,17)(H,18,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | NUIINCMATQEUSS-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1cn(CC(O)=O)c2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cn(CC(O)=O)c2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cn2CC(=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cn2CC(=O)O)CC(C(=O)O)N |
