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Substance Name: Aselacin A
RN: 156223-06-2
InChIKey: AYUIKFCHOSVYEV-DGRUYDBLSA-N

Note

  • Endothalin receptor antagonist; isolated from Acremonium.

Molecular Formula

  • C46-H68-N8-O11

Molecular Weight

  • 909.0882
 
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Names and Synonyms

Name of Substance

  • Aselacin A

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 156223-06-2

System Generated Number

  • 0156223062

Structure Descriptors

InChI

1S/C46H68N8O11/c1-3-4-5-6-7-9-12-17-32(56)18-13-10-8-11-14-21-39(58)51-35(22-23-38(47)57)44(62)54-42-30(2)65-41(60)28-50-43(61)37(29-55)53-45(63)36(52-40(59)24-25-48-46(42)64)26-31-27-49-34-20-16-15-19-33(31)34/h7,9,12,15-17,19-20,27,30,32,35-37,42,49,55-56H,3-6,8,10-11,13-14,18,21-26,28-29H2,1-2H3,(H2,47,57)(H,48,64)(H,50,61)(H,51,58)(H,52,59)(H,53,63)(H,54,62)/b9-7+,17-12+

InChIKey

AYUIKFCHOSVYEV-DGRUYDBLSA-N

Smiles

CCCCC/C=C/C=C/C(CCCCCCCC(=O)NC(CCC(=O)N)C(=O)NC1C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)CCNC1=O)Cc2c[nH]c3c2cccc3)CO)C)O