5CW
Summary
| Name: | 5-chloro-L-tryptophan |
| Formula: | C11 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 238.67 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-L-tryptophan |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(5-chloranyl-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2c1cc(Cl)ccc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | TUKKZLIDCNWKIN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2ccc(Cl)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)c(c[nH]2)CC(C(=O)O)N |
