V7P
Summary
| Name: | (2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal |
| Formula: | C12 H11 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(6-fluoranylquinolin-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(F)ccc1c(c(ccn1)CC(C=O)N)c2 |
| InChI | InChI | 1.06 | InChI=1S/C12H11FN2O2/c13-8-1-2-11-9(6-8)7(3-4-15-11)5-10(14)12(16)17/h1-4,6,10H,5,14H2,(H,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | OZPFCLPKUBXWSH-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccnc2ccc(F)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccnc2ccc(F)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)c(ccn2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)c(ccn2)CC(C(=O)O)N |
