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Substance Name: Aselacin B
RN: 156223-07-3
InChIKey: YUBIUAUSTIXPQN-BOPDVPAVSA-N

Note

  • Endothalin receptor antagonist; isolated from Acremonium.

Molecular Formula

  • C46-H66-N8-O12

Molecular Weight

  • 923.0714
 
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Names and Synonyms

Name of Substance

  • Aselacin B

Systematic Name

  • Glycine, N-(N-(N-(N-(N-(N2-(17-hydroxy-1,9-dioxo-10,12-octadecadienyl)-D-glutaminyl)-L-threonyl)-beta-alanyl)-D-tryptophyl)-D-seryl)-, omicron-lactone

Registry Numbers

CAS Registry Number

  • 156223-07-3

System Generated Number

  • 0156223073

Structure Descriptors

InChI

1S/C46H66N8O12/c1-29(56)15-9-5-3-6-10-16-32(57)17-11-7-4-8-12-20-39(59)51-35(21-22-38(47)58)44(63)54-42-30(2)66-41(61)27-50-43(62)37(28-55)53-45(64)36(52-40(60)23-24-48-46(42)65)25-31-26-49-34-19-14-13-18-33(31)34/h3,6,10,13-14,16,18-19,26,29-30,35-37,42,49,55-56H,4-5,7-9,11-12,15,17,20-25,27-28H2,1-2H3,(H2,47,58)(H,48,65)(H,50,62)(H,51,59)(H,52,60)(H,53,64)(H,54,63)/b6-3+,16-10+

InChIKey

YUBIUAUSTIXPQN-BOPDVPAVSA-N

Smiles

CC1C(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NCC(=O)O1)CO)Cc2c[nH]c3c2cccc3)NC(=O)C(CCC(=O)N)NC(=O)CCCCCCCC(=O)/C=C/C=C/CCCC(C)O