ANSAMYCIN R-219
Molecular Formula:
C42H55N3O13S
InChI: InChI=1/C42H55N3O13S/c1-18-13-12-14-19(2)40(52)44-31-35(50)28-27(30-38(31)59-41(45-30)43-17-26(54-10)55-11)29-37(23(6)34(28)49)58-42(8,39(29)51)56-16-15-25(53-9)20(3)36(57-24(7)46)22(5)33(48)21(4)32(18)47/h12-16,18,20-22,25-26,32-33,36,47-50H,17H2,1-11H3,(H,43,45)(H,44,52)/b13-12+,16-15+,19-14+/t18u,20-,21-,22-,25?,32+,33-,36-,42+/m1/s1/f/h43-44H
InChIKey: InChIKey=QVEUXUSQTRYLRU-SIRSQENJDT
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)NCC(OC)OC)O)C
Names:
ANSAMYCIN R-219
NSC301716
66892-20-4
Registries:
PubChem CID 5458634
PubChem ID 8141019
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