A1ALE
Summary
| Name: | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid |
| Formula: | C9 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.251 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-7-(dimethylamino)-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCCCC(=O)N(C)C)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | PZGZIGICAVVNEB-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)CCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)CCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)CCCCC(C(=O)O)N |
