7TK
Summary
| Name: | (3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid |
| Formula: | C8 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 186.208 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | MGJPXVYXTDEHEJ-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(O)=O)C(=O)N1CCCC1 |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)C(=O)N1CCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCN(C1)C(=O)[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCN(C1)C(=O)C(CC(=O)O)N |
