| PDB CCD ID: | TXG |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C34 H44 N4 O7 |
| InChI: | InChI=1S/C34H44N4O7/c39-30-25(16-8-3-10-18-34(43,44)29-22-45-29)35-32(41)28-17-9-11-19-38(28)33(42)27(21-24-14-6-2-7-15-24)37-31(40)26(36-30)20-23-12-4-1-5-13-23/h1-2,4-7,12-15,25-29,43-44H,3,8-11,16-22H2,(H,35,41)(H,36,39)(H,37,40)/t25-,26-,27-,28+,29-/m0/s1 |
| InChIKey: | IQEGEIYGULTIMD-CNXZJCAJSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(O)(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H]5CO5 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5 | | CACTVS 3.385 | OC(O)(CCCCC[CH]1NC(=O)[CH]2CCCCN2C(=O)[CH](Cc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC1=O)[CH]5CO5 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)CC2C(=O)NC(C(=O)N3CCCCC3C(=O)NC(C(=O)N2)CCCCCC(C4CO4)(O)O)Cc5ccccc5 | | ACDLabs 12.01 | O=C2C(NC(C(NC(=O)C(CCCCCC(O)(O)C1OC1)NC(C3CCCCN23)=O)Cc4ccccc4)=O)Cc5ccccc5 |
|
| Name: | (3S,6S,9S,15aR)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2S)-oxiran-2-yl]hexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone |
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