| PDB CCD ID: | LOR |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H18 Cl N3 O4 |
| InChI: | InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1 |
| InChIKey: | DRTWKGBDHBOYMS-UMSGYPCISA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | N[CH](C(=O)N[CH](C=O)[CH]1CC[CH](Cl)C(=N1)C(O)=O)c2ccccc2 | | OpenEye OEToolkits 1.7.2 | c1ccc(cc1)C(C(=O)NC(C=O)C2CCC(C(=N2)C(=O)O)Cl)N | | ACDLabs 12.01 | O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl | | OpenEye OEToolkits 1.7.2 | c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N | | CACTVS 3.370 | N[C@@H](C(=O)N[C@H](C=O)[C@H]1CC[C@H](Cl)C(=N1)C(O)=O)c2ccccc2 |
|
| Name: | LORACABEF (Open form);
(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid |
| ZINC: | ZINC000015529318 |
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