| PDB CCD ID: | 9U9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H26 N2 O4 |
| InChI: | InChI=1S/C17H26N2O4/c18-15(16(20)21)9-5-6-10-19-17(22)23-11-14-12-7-3-1-2-4-8-13(12)14/h12-15H,3-11,18H2,(H,19,22)(H,20,21)/t12-,13+,14-,15-/m0/s1 |
| InChIKey: | QLDVOCPEKYLEOT-XGUBFFRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH](CCCCNC(=O)OCC1[CH]2CCC#CCC[CH]12)C(O)=O | | CACTVS 3.385 | N[C@@H](CCCCNC(=O)OCC1[C@H]2CCC#CCC[C@@H]12)C(O)=O | | OpenEye OEToolkits 2.0.6 | C1CC2C(C2COC(=O)NCCCCC(C(=O)O)N)CCC#C1 | | OpenEye OEToolkits 2.0.6 | C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1 | | ACDLabs 12.01 | C1(C2CCC#CCCC12)COC(NCCCCC(C(O)=O)N)=O |
|
| Name: | N6-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine |
| ZINC: | ZINC000109335633 |
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