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Substance Name: Verticillin C
RN: 51798-48-2
UNII: 6HF41H92UT
InChIKey: BMACAVUSMBJNME-LRESJZTJSA-N

Molecular Formula

  • C30-H28-N6-O7-S5

Molecular Weight

  • 744.9162
 
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Names and Synonyms

Name of Substance

  • Verticillin C

Synonyms

  • UNII-6HF41H92UT
  • Verticillin C
  • Verticillin C [MI]

Registry Numbers

CAS Registry Number

  • 51798-48-2

FDA UNII

  • 6HF41H92UT

System Generated Number

  • 0051798482

Structure Descriptors

InChI

1S/C30H28N6O7S5/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-48-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1

InChIKey

BMACAVUSMBJNME-LRESJZTJSA-N

Smiles

C[C@]12C(=O)N3[C@@H]4[C@@](c5ccccc5N4)([C@@H]([C@@]3(C(=O)N1C)SS2)O)[C@@]67c8ccccc8N[C@@H]6N9C(=O)[C@]1(N(C(=O)[C@]9([C@H]7O)SSS1)C)CO