AFC
Summary
| Name: | (3R,12R)-3-amino-12-methyltetradecanoic acid |
| Formula: | C15 H31 N O2 |
| Formal charge: | 0 |
| Formula weight: | 257.412 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,12R)-3-amino-12-methyltetradecanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3R,12R)-3-azanyl-12-methyl-tetradecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)CCCCCCCCC(C)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](C)CCCCCCCC[C@@H](N)CC(O)=O |
| SMILES | CACTVS | 3.370 | CC[CH](C)CCCCCCCC[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C)CCCCCCCCC(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1 |
| InChIKey | InChI | 1.03 | HBVNJKJYXNNKPM-ZIAGYGMSSA-N |
