FURNA

PDB CCD ID:	773
Number of entries in FURNA:	1
Chemical formula:	C42 H59 N3 O10
InChI:	InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
InChIKey:	PENDGIOBPJLVBT-ONLVEXIXSA-N
SMILES:	CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C; CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=Cc4cc5ccccc5nc4)C)C)NC(=O)O2)C; CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3NC(=O)O[C@]13C)OC\C=C\c4cnc5ccccc5c4; O=C4C(C(OC1OC(CC(N(C)C)C1O)C)C(OC\C=C\c2cc3ccccc3nc2)(C)CC(C(=O)C(C)C5NC(=O)OC5(C)C(OC(=O)C4C)CC)C)C; CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]3NC(=O)O[C]13C)OCC=Cc4cnc5ccccc5c4
Name:	CETHROMYCIN; ABT-773
ChEMBL:	CHEMBL133924
ZINC:	ZINC000009574816