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Substance Name: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((6-aminohexyl)amino)carbonyl)-
RN: 122172-99-0
InChIKey: XWGHWNJLDWWQIX-YOKSVXOCSA-N

Molecular Formula

  • C64-H59-Cl2-N9-O17

Molecular Weight

  • 1297.1221
 
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Names and Synonyms

  • Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((6-aminohexyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 122172-99-0

System Generated Number

  • 0122172990

Structure Descriptors

InChI

1S/C64H59Cl2N9O17/c65-38-15-27-5-11-44(38)91-47-22-32-23-48(57(47)82)92-45-12-8-30(20-39(45)66)56(81)55-64(89)74-54(60(85)69-14-4-2-1-3-13-67)37-25-34(77)26-43(80)49(37)36-19-29(7-9-41(36)78)51(61(86)75-55)72-63(88)53(32)73-62(87)52-31-17-33(76)24-35(18-31)90-46-21-28(6-10-42(46)79)50(68)59(84)70-40(16-27)58(83)71-52/h5-12,15,17-26,40,50-56,76-82H,1-4,13-14,16,67-68H2,(H,69,85)(H,70,84)(H,71,83)(H,72,88)(H,73,87)(H,74,89)(H,75,86)/t40-,50-,51-,52+,53-,54+,55+,56-/m1/s1

InChIKey

XWGHWNJLDWWQIX-YOKSVXOCSA-N

Smiles

c1cc2c(cc1C[C@@H]3C(=O)N[C@@H](c4cc(cc(c4)Oc5cc(ccc5O)[C@H](C(=O)N3)N)O)C(=O)N[C@@H]6c7cc(c(c(c7)Oc8ccc(cc8Cl)[C@H]([C@H]9C(=O)N[C@@H](c1cc(cc(c1-c1cc(ccc1O)[C@H](C(=O)N9)NC6=O)O)O)C(=O)NCCCCCCN)O)O)O2)Cl