7WC
Summary
| Name: | (3S)-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid |
| Formula: | C7 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 174.198 Da |
| Component type: | L-gamma-peptide, C-delta linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O3/c1-8-5(4-6(10)11)7(12)9(2)3/h5,8H,4H2,1-3H3,(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WKRJPGKRIIJGQE-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](CC(O)=O)C(=O)N(C)C |
| SMILES | CACTVS | 3.385 | CN[CH](CC(O)=O)C(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](CC(=O)O)C(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(CC(=O)O)C(=O)N(C)C |
