| PDB CCD ID: | DDD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H17 N3 O6 S |
| InChI: | InChI=1S/C12H17N3O6S/c16-9-2-1-7(12(20)21)14-5-15(9)8(4-22-6-14)11(19)13-3-10(17)18/h7-8H,1-6H2,(H,13,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1 |
| InChIKey: | FNEMNSFAPZMNDP-YUMQZZPRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O | | CACTVS 3.341 | OC(=O)CNC(=O)[CH]1CSCN2CN1C(=O)CC[CH]2C(O)=O | | ACDLabs 10.04 | O=C(O)CNC(=O)C2N1C(=O)CCC(N(C1)CSC2)C(=O)O | | CACTVS 3.341 | OC(=O)CNC(=O)[C@@H]1CSCN2CN1C(=O)CC[C@H]2C(O)=O | | OpenEye OEToolkits 1.5.0 | C1CC(=O)N2CN(C1C(=O)O)CSCC2C(=O)NCC(=O)O |
|
| Name: | (5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-10-CARBOXYLIC ACID |
| ZINC: | ZINC000016052367 |
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