5ZS
Summary
| Name: | (2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid |
| Formula: | C13 H22 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 318.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H22N2O7/c16-10(13(21)22)3-5-14-8(11(17)18)4-7-15-6-1-2-9(15)12(19)20/h8-10,14,16H,1-7H2,(H,17,18)(H,19,20)(H,21,22)/t8-,9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | OQMAZRGKYAMKSN-GUBZILKMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CCN[C@@H](CCN1CCC[C@H]1C(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CCN[CH](CCN1CCC[CH]1C(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](N(C1)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(N(C1)CCC(C(=O)O)NCCC(C(=O)O)O)C(=O)O |
