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| Ligand ID | BYT |
| InChI | InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 |
| InChIKey | BAQMYDQNMFBZNA-MNXVOIDGSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2 | | CACTVS 3.385 | N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(O)=O | | CACTVS 3.385 | N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(O)=O | | OpenEye OEToolkits 1.7.6 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 | | ACDLabs 12.01 | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N |
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| Formula | C16 H28 N4 O4 S |
| Name | Biocytin;
N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004096827
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| PDB chain | 4m6v Chain A Residue 1105
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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