| PDB CCD ID: | PCY |
| Number of entries in FURNA: | 9 |
| Chemical formula: | C28 H38 N4 O8 |
| InChI: | InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1 |
| InChIKey: | WVIUOSJLUCTGFK-JUJPXXQGSA-N |
| SMILES: | C[CH](O)[C]1(NC(=O)N(C)C)[CH](N)[CH](Nc2cccc(c2)C(C)=O)[C](O)(COC(=O)c3c(C)cccc3O)[C]1(C)O; Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O; C[C@H](O)[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2cccc(c2)C(C)=O)[C@](O)(COC(=O)c3c(C)cccc3O)[C@]1(C)O; Cc1cccc(c1C(=O)OCC2(C(C(C(C2(C)O)(C(C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O; O=C(c1cc(ccc1)NC2C(O)(C(O)(C(NC(=O)N(C)C)(C2N)C(O)C)C)COC(=O)c3c(cccc3O)C)C |
| Name: | Pactamycin |
| ChEMBL: | CHEMBL458512 |
| ZINC: | ZINC000044358916 |
Reference: