4HT
Summary
| Name: | 4-HYDROXYTRYPTOPHAN |
| Formula: | C11 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.225 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-hydroxy-L-tryptophan |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1c(cccc1O)nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2cccc(O)c12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2cccc(O)c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)O)c(c[nH]2)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QSHLMQDRPXXYEE-ZETCQYMHSA-N |
