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Substance Name: Cyclothiazomycin
RN: 133352-26-8
InChIKey: OGUUCNCVZHZWGA-SKEOMMRSSA-N

Note

  • From Streptomyces sp. NR0516.

Molecular Weight

  • 1473.7286
 
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Names and Synonyms

  • Cyclothiazomycin

Registry Numbers

CAS Registry Number

  • 133352-26-8

System Generated Number

  • 0133352268

Structure Descriptors

InChI

1S/C59H64N18O14S7/c1-7-27-47(85)76-59(6)58(91)75-42(25(5)78)49(87)61-15-40(80)64-28(8-2)56(88)77-13-9-10-38(77)48(86)62-23(3)41-26(43(81)67-30(14-39(60)79)52-69-32(17-93-52)45(83)66-27)11-12-29(65-41)51-73-35(20-96-51)53-70-31(16-94-53)44(82)63-24(4)50-72-34(19-92-50)55-74-36(21-97-55)54-71-33(18-95-54)46(84)68-37(22-98-59)57(89)90/h7-8,11-12,19-21,23,25,30-33,37-38,42,78H,4,9-10,13-18,22H2,1-3,5-6H3,(H2,60,79)(H,61,87)(H,62,86)(H,63,82)(H,64,80)(H,66,83)(H,67,81)(H,68,84)(H,75,91)(H,76,85)(H,89,90)/b27-7-,28-8-/t23-,25-,30+,31+,32+,33+,37+,38+,42+,59+/m1/s1

InChIKey

OGUUCNCVZHZWGA-SKEOMMRSSA-N

Smiles

C/C=C\1/C(=O)N[C@@]2(C(=O)N[C@H](C(=O)NCC(=O)N/C(=C\C)/C(=O)N3CCC[C@H]3C(=O)N[C@@H](c4c(ccc(n4)-c5nc(cs5)C6=N[C@@H](CS6)C(=O)NC(=C)c7nc(cs7)-c8nc(cs8)C9=N[C@@H](CS9)C(=O)N[C@@H](CS2)C(=O)O)C(=O)N[C@H](C2=N[C@@H](CS2)C(=O)N1)CC(=O)N)C)[C@@H](C)O)C