| PDB CCD ID: | 8YF |
| Number of entries in BioLiP: | 20 |
| Chemical formula: | C12 H19 N3 O5 S |
| InChI: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1 |
| InChIKey: | KSLAOLVLEKIZMQ-ZXFLCMHBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](O)[CH]([CH]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O | | CACTVS 3.385 | C[C@@H](O)[C@H]([C@H]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O | | OpenEye OEToolkits 2.0.6 | [H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O | | OpenEye OEToolkits 2.0.6 | CC(C(C1CC(=C(N1)C(=O)O)SCCNC=N)C(=O)O)O |
|
| Name: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid;
Imipenem, hydrolyzed form |
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