| PDB CCD ID: | EHF |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C20 H18 N2 O5 |
| InChI: | InChI=1S/C20H18N2O5/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17/h3-8,23,27H,2,9-10H2,1H3,(H,25,26)/t20-/m0/s1 |
| InChIKey: | SARNOWGPKQIWFT-FQEVSTJZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC[C](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1 | | CACTVS 3.385 | CC[C@@](O)(C(O)=O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1 | | OpenEye OEToolkits 1.7.6 | CCC(C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O | | OpenEye OEToolkits 1.7.6 | CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O | | ACDLabs 12.01 | O=C(O)C(O)(C=4C=C3c2nc1ccccc1cc2CN3C(=O)C=4CO)CC |
|
| Name: | (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid;
Camptothecin, open form |
| ChEMBL: | CHEMBL1205903 |
| ZINC: | ZINC000003954245 |
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