| PDB CCD ID: | PYH |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H21 N3 O3 |
| InChI: | InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1 |
| InChIKey: | ZFOMKMMPBOQKMC-KXUCPTDWSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(NCCCCC(C(=O)O)N)C1N=CCC1C | | OpenEye OEToolkits 1.7.6 | CC1CC=NC1C(=O)NCCCCC(C(=O)O)N | | CACTVS 3.370 | C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O | | OpenEye OEToolkits 1.7.6 | C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N | | CACTVS 3.370 | C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O |
|
| Name: | N~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-2H-PYRROL-2-YL]CARBONYL}-L-LYSINE;
PYRROLYSINE |
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