| PDB CCD ID: | L86 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H33 Cl N6 O2 |
| InChI: | InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1 |
| InChIKey: | LYVSCNRRXJZCRV-QHCPKHFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | ClC1=CN=C2N[CH](CNCCCNCCc3ccccc3CNC(=O)CN1C2=O)Cc4ccccc4 | | CACTVS 3.341 | ClC1=CN=C2N[C@H](CNCCCNCCc3ccccc3CNC(=O)CN1C2=O)Cc4ccccc4 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl | | ACDLabs 10.04 | O=C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=O)C3)Cc4ccccc4 |
|
| Name: | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE;
COMPOUND 31 |
| ChEMBL: | CHEMBL327421 |
| ZINC: | ZINC000003991144 |
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