6G5
Summary
| Name: | 4-chloro-L-tryptophan |
| Formula: | C11 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 238.67 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-L-tryptophan |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(4-chloranyl-1~{H}-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1c[NH]c2cccc(Cl)c21 |
| InChI | InChI | 1.03 | InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | NRTHKYABOMUPSC-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2cccc(Cl)c12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)c(c[nH]2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)c(c[nH]2)CC(C(=O)O)N |
