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Substance Name: Halocyamine A
RN: 122548-03-2
InChIKey: LMLIIBIHCYDKGG-HEQLHIRUSA-N

Note

  • Isolated from Halocynthia roretzi; antimicrobial cpd.

Molecular Formula

  • C27-H28-Br-N7-O5

Molecular Weight

  • 610.466
 
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Names and Synonyms

Name of Substance

  • Halocyamine A

Synonym

  • Histidyl-6,7-dihydroxyphenylalanylglycyl-6-bromo-8,9-didehydrotryptamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122548-03-2

System Generated Number

  • 0122548032

Structure Descriptors

InChI

1S/C27H28BrN7O5/c28-17-2-3-19-16(11-33-22(19)9-17)5-6-31-13-25(38)35(27(40)21(30)10-18-12-32-14-34-18)26(39)20(29)7-15-1-4-23(36)24(37)8-15/h1-6,8-9,11-12,14,20-21,31,33,36-37H,7,10,13,29-30H2,(H,32,34)/b6-5-/t20-,21-/m0/s1

InChIKey

LMLIIBIHCYDKGG-HEQLHIRUSA-N

Smiles

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