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Substance Name: Halocyamine B
RN: 122548-04-3
InChIKey: AOYPXEUCIFBDES-IKEBQYQCSA-N

Note

  • Isolated from Halocynthia roretzi; antimicrobial cpd.

Molecular Formula

  • C29-H32-Br-N7-O6

Molecular Weight

  • 654.519
 
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Names and Synonyms

Name of Substance

  • Halocyamine B

Synonym

  • Threonyl-6,7-dihydroxyphenylalanyl-histidyl-6-bromo-8,9-didehydrotryptamine

Systematic Names

  • L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-((1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)-
  • L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-(2-(6-bromo-1H-indol-3-yl)ethenyl)-, (Z)-

Registry Numbers

CAS Registry Number

  • 122548-04-3

System Generated Number

  • 0122548043

Structure Descriptors

InChI

1S/C29H32BrN7O6/c1-15(38)26(32)29(43)37(27(41)21(31)8-16-2-5-24(39)25(40)9-16)28(42)23(11-19-13-33-14-36-19)34-7-6-17-12-35-22-10-18(30)3-4-20(17)22/h2-7,9-10,12-15,21,23,26,34-35,38-40H,8,11,31-32H2,1H3,(H,33,36)/b7-6-/t15-,21+,23+,26+/m1/s1

InChIKey

AOYPXEUCIFBDES-IKEBQYQCSA-N

Smiles

C([C@@H](N\C=C/c1c[nH]c2cc(ccc12)Br)Cc1c[nH]cn1)(=O)N(C([C@@H](N)Cc1cc(c(O)cc1)O)=O)C([C@@H](N)[C@@H](C)O)=O