720
Summary
| Name: | (2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]PENTANOIC ACID |
| Formula: | C12 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 239.314 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-5-amino-2-[(1-propyl-1H-imidazol-4-yl)methyl]pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-5-amino-2-[(1-propylimidazol-4-yl)methyl]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(Cc1ncn(c1)CCC)CCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCn1cnc(C[C@H](CCCN)C(O)=O)c1 |
| SMILES | CACTVS | 3.341 | CCCn1cnc(C[CH](CCCN)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCn1cc(nc1)C[C@H](CCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCn1cc(nc1)CC(CCCN)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | OTDGPKRCQXSTPV-JTQLQIEISA-N |
