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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((phenylamino)thioxomethyl)-
RN: 123631-08-3
InChIKey: ILPLADCWRQPQSL-YOKSVXOCSA-N

Molecular Formula

  • C65-H50-Cl2-N8-O18-S

Molecular Weight

  • 1334.12
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-carboxy-, 15-phenyl thiourea

Systematic Name

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((phenylamino)thioxomethyl)-

Registry Numbers

CAS Registry Number

  • 123631-08-3

System Generated Number

  • 0123631083

Structure Descriptors

InChI

1S/C65H50Cl2N8O18S/c66-38-14-26-6-12-44(38)92-47-21-31-22-48(57(47)82)93-45-13-9-29(19-39(45)67)56(81)55-63(88)73-54(64(89)90)37-24-34(77)25-43(80)49(37)36-18-27(7-10-41(36)78)50(60(85)74-55)71-62(87)53(31)72-61(86)52-30-16-33(76)23-35(17-30)91-46-20-28(8-11-42(46)79)51(59(84)69-40(15-26)58(83)70-52)75-65(94)68-32-4-2-1-3-5-32/h1-14,16-25,40,50-56,76-82H,15H2,(H,69,84)(H,70,83)(H,71,87)(H,72,86)(H,73,88)(H,74,85)(H,89,90)(H2,68,75,94)/t40-,50-,51-,52+,53-,54+,55+,56-/m1/s1

InChIKey

ILPLADCWRQPQSL-YOKSVXOCSA-N

Smiles

c1ccc(cc1)NC(=S)N[C@@H]2c3ccc(c(c3)Oc4cc(cc(c4)O)[C@H]5C(=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)O)O)O)Oc1ccc(cc1Cl)C[C@H](C(=O)N5)NC2=O)O