H7I
Summary
| Name: | (4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid |
| Formula: | C12 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 271.313 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O4/c1-14-9(4-5-11(17)18)12(19)15-6-2-3-8(15)7-10(13)16/h8-9,14H,2-7H2,1H3,(H2,13,16)(H,17,18)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | IJESADAJOPKBFE-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |
| SMILES | CACTVS | 3.385 | CN[CH](CCC(O)=O)C(=O)N1CCC[CH]1CC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(CCC(=O)O)C(=O)N1CCCC1CC(=O)N |
