MKD
Summary
| Name: | (2S)-2-amino-2-methyloctanoic acid |
| Formula: | C9 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.253 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-2-methyloctanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-2-methyl-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)(CCCCCC)C |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ZVGFZQSYGLIZHE-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[C@](C)(N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCC[C](C)(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC[C@@](C)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCC(C)(C(=O)O)N |
