| PDB CCD ID: | X1E |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H12 N2 O3 S |
| InChI: | InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 |
| InChIKey: | NGHVIOIJCVXTGV-ALEPSDHESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C | | OpenEye OEToolkits 1.6.1 | CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C | | CACTVS 3.352 | CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O | | CACTVS 3.352 | CC1(C)S[CH]2[CH](N)C(=O)N2[CH]1C(O)=O | | ACDLabs 10.04 | O=C(O)C1N2C(=O)C(N)C2SC1(C)C |
|
| Name: | (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID;
6-AMINOPENICILLANIC ACID |
| ChEMBL: | CHEMBL1236749 |
| ZINC: | ZINC000003860188 |
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