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Substance Name: Albomycin epsilon
RN: 12676-10-7
UNII: 2FI7OQF5OS
InChIKey: VQCJCCMAGPCDIK-UHFFFAOYSA-N

Molecular Formula

  • C36-H55-N11-O17-S.H+.Fe

Molecular Weight

  • 1002.8094
 
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Names and Synonyms

Name of Substance

  • Albomycin epsilon

Synonyms

  • Albomycin epsilon
  • RO-7-7731
  • UNII-2FI7OQF5OS

Registry Numbers

CAS Registry Number

  • 12676-10-7

FDA UNII

  • 2FI7OQF5OS

System Generated Number

  • 0012676107

Structure Descriptors

InChI

1S/C36H56N11O17S.Fe/c1-17(49)45(62)12-5-8-20(37)30(55)39-21(9-6-13-46(63)18(2)50)31(56)40-22(10-7-14-47(64)19(3)51)32(57)41-23(16-48)33(58)42-25(35(59)60)26(52)29-27(53)28(54)34(65-29)44-15-11-24(38)43(4)36(44)61;/h11,15,20-23,25-29,34,38,48,52-54H,5-10,12-14,16,37H2,1-4H3,(H,39,55)(H,40,56)(H,41,57)(H,42,58)(H,59,60);/q-3;+3

InChIKey

VQCJCCMAGPCDIK-UHFFFAOYSA-N

Smiles

CN1C(=N)C=CN(C2SC(C(O)C(NC(=O)C(CO)NC(=O)C3CCCN(O[Fe]4ON(CCCC(N)C(=O)NC(CCCN(O4)C(=O)C)C(=O)N3)C(=O)C)C(=O)C)C(=O)O)C(O)C2O)C1=O