DTE
Summary
| Name: | 7-CL-D-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 | 10.04 | 7-chloro-D-tryptophan |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(7-chloro-1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1cccc(Cl)c1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2c(Cl)cccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c[nH]c2c(c1)Cl)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | DMQFGLHRDFQKNR-SECBINFHSA-N |
