ANSAMYCIN R-171
Molecular Formula:
C39H49N3O11S
InChI: InChI=1/C39H49N3O11S/c1-16-12-11-13-17(2)37(49)41-28-32(47)25-24(27-35(28)54-38(40-9)42-27)26-34(21(6)31(25)46)53-39(8,36(26)48)51-15-14-23(50-10)18(3)33(52-22(7)43)20(5)30(45)19(4)29(16)44/h11-16,18-20,23,29-30,33,44-47H,1-10H3,(H,40,42)(H,41,49)/b12-11-,15-14+,17-13-/f/h40-41H
InChIKey: InChIKey=VMTHXSZPIKMRCF-CQTUJICIDI
SMILES: CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2SC(=N5)NC)O)C
Names:
ANSAMYCIN R-171
NSC301714
Registries:
PubChem CID 5458632
PubChem ID 8141017
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