A1D8S
Summary
| Name: | (2~{S},4~{S})-4-[(2~{S})-2-azanyl-3-azanylidene-propyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid |
| Formula: | C8 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 199.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S})-4-[(2~{S})-2-azanyl-3-azanylidene-propyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H13N3O3/c9-3-5(10)1-4-2-6(8(13)14)11-7(4)12/h3-6,9H,1-2,10H2,(H,11,12)(H,13,14)/b9-3-/t4-,5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | XOIOGZLOYQIXIP-BWWWCELDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@H]1C[C@H](NC1=O)C(O)=O)C=N |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1C[CH](NC1=O)C(O)=O)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\[C@H](C[C@H]1C[C@H](NC1=O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(=O)NC1C(=O)O)CC(C=N)N |
