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| Ligand ID | LAS |
| InChI | InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1 |
| InChIKey | DAQAKHDKYAWHCG-MJZHQVMOSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 10.04 | O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C | | OpenEye OEToolkits 1.5.0 | CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O | | OpenEye OEToolkits 1.5.0 | C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O | | CACTVS 3.341 | CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(=O)SCC(NC(C)=O)C(O)=O | | CACTVS 3.341 | CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SCC(NC(C)=O)C(O)=O |
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| Formula | C15 H24 N2 O7 S |
| Name | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine;
LACTACYSTIN |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 3dpm Chain B Residue 800
[Download ligand structure]
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[View ligand structure]
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