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Substance Name: Diiodotyrocidine B
RN: 120602-98-4
InChIKey: QYBNFJBHNWGOQY-QCFQSITDSA-N

Molecular Weight

  • 1561.31
 
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Names and Synonyms

Results Name

  • Diiodotyrocidine B

Synonyms

  • Diiodotyrocidine B
  • Tyrocidine B, diiodo-

Registry Numbers

CAS Registry Number

  • 120602-98-4

System Generated Number

  • 0120602984

Structure Descriptors

InChI

1S/C68H86I2N14O13/c1-37(2)27-52(79-62(91)50(21-13-25-71)77-65(94)58(38(3)4)82-61(90)47(72)31-41-29-45(69)59(88)46(70)30-41)63(92)80-53(32-40-17-9-6-10-18-40)66(95)83-26-14-22-55(83)64(93)81-54(33-42-35-76-49-20-12-11-19-44(42)49)68(97)84(43(36-85)28-39-15-7-5-8-16-39)67(96)51(23-24-56(74)86)78-60(89)48(73)34-57(75)87/h5-12,15-20,22,29-30,35-38,43,47-48,50-54,58,76,88H,13-14,21,23-28,31-34,71-73H2,1-4H3,(H2,74,86)(H2,75,87)(H,77,94)(H,78,89)(H,79,91)(H,80,92)(H,81,93)(H,82,90)/t43-,47+,48+,50+,51+,52+,53-,54+,58+/m1/s1

InChIKey

QYBNFJBHNWGOQY-QCFQSITDSA-N

Smiles

C([C@H](N(C([C@@H](NC([C@]=1N(CCC1)C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)Cc1cc(c(O)c(c1)I)I)=O)C(C)C)=O)CCCN)=O)CC(C)C)=O)Cc1ccccc1)=O)=O)Cc1c[nH]c2ccccc12)=O)C([C@@H](NC([C@@H](N)CC(=O)N)=O)CCC(=O)N)=O)Cc1ccccc1)=O