4WQ
Summary
| Name: | (2S)-2-amino-7,7-dimethyloctanoic acid |
| Formula: | C10 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.279 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-7,7-dimethyloctanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-7,7-dimethyl-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)CCCCC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H21NO2/c1-10(2,3)7-5-4-6-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LDROFNYSJLCCKR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)CCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)CCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)CCCCC(C(=O)O)N |
