| PDB CCD ID: | A1H3N |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H19 N3 O4 S |
| InChI: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1 |
| InChIKey: | NIJGFQHESQFJAG-ZYUZMQFOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C(C=O)C1CC(C(=N1)C(=O)O)SCCNC=N)O | | CACTVS 3.385 | C[C@@H](O)[C@@H](C=O)[C@H]1C[C@@H](SCCNC=N)C(=N1)C(O)=O | | OpenEye OEToolkits 2.0.7 | [H]/N=C/NCCS[C@@H]1C[C@@H](N=C1C(=O)O)[C@H](C=O)[C@@H](C)O | | CACTVS 3.385 | C[CH](O)[CH](C=O)[CH]1C[CH](SCCNC=N)C(=N1)C(O)=O |
|
| Name: | (2~{R},4~{R})-4-(2-methanimidamidoethylsulfanyl)-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid;
Imipenem |
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