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Substance Name: Aselacin C
RN: 156223-08-4
InChIKey: ARKPSPWBJDFWAE-GFDFNCKZSA-N

Note

  • Endothalin receptor antagonist; isolated from Acremonium.

Molecular Weight

  • 907.0724
 
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Names and Synonyms

Name of Substance

  • Aselacin C

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 156223-08-4

System Generated Number

  • 0156223084

Structure Descriptors

InChI

1S/C46H66N8O11/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/h7,9,12,15-17,19-20,27,30,35-37,42,49,55H,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+/t30-,35-,36-,37-,42+/m1/s1

InChIKey

ARKPSPWBJDFWAE-GFDFNCKZSA-N

Smiles

CCCCC\C=C\C=C\C(=O)CCCCCCCC(=O)N[C@H](CCC(=O)N)C(=O)N[C@H]1[C@@H](C)OC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCNC1=O