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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-
RN: 133376-45-1
InChIKey: QCVXFERYANOESA-MXHKRQEISA-N

Molecular Formula

  • C59-H48-Cl2-N8-O17

Molecular Weight

  • 1211.9732
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 133376-45-1

System Generated Number

  • 0133376451

Structure Descriptors

InChI

1S/C59H48Cl2N8O17/c1-63-55(79)49-32-20-29(71)21-38(74)44(32)31-14-24(4-6-36(31)72)46-56(80)69-50(59(83)68-49)51(75)25-5-9-40(34(61)15-25)86-43-18-27-17-42(52(43)76)85-39-8-2-22(10-33(39)60)11-35-53(77)65-47(57(81)67-48(27)58(82)66-46)26-12-28(70)19-30(13-26)84-41-16-23(3-7-37(41)73)45(62)54(78)64-35/h2-10,12-21,35,45-51,70-76H,11,62H2,1H3,(H,63,79)(H,64,78)(H,65,77)(H,66,82)(H,67,81)(H,68,83)(H,69,80)/t35-,45-,46-,47+,48-,49+,50+,51-/m1/s1

InChIKey

QCVXFERYANOESA-MXHKRQEISA-N

Smiles

CNC(=O)[C@@H]1c2cc(cc(c2-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc7cc(c6O)Oc8ccc(cc8Cl)C[C@@H]9C(=O)N[C@@H](c2cc(cc(c2)Oc2cc(ccc2O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N1)O)O