T09
Summary
| Name: | (2S,4R)-2-amino-4-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,4R)-2-amino-4-methyloctanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-2-azanyl-4-methyl-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CC(C)CCCC)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.06 | YPMMOCARISFQBS-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@@H](C)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](C)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](C)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C)CC(C(=O)O)N |
