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Substance Name: Cyclo(glutamyl-alanyl-isoleucyl-leucyl-tryptophyl)
RN: 136553-74-7
InChIKey: MBHURWYWZFYDQD-HDUXTRFBSA-N

Note

  • Endothelin A receptor antagonist from Streptomyces misakiensis.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H44-N6-O7

Molecular Weight

  • 612.724
 
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Names and Synonyms

Name of Substance

  • Cyclo(glutamyl-alanyl-isoleucyl-leucyl-tryptophyl)

Synonym

  • BE-18257B

Systematic Name

  • Cyclo(L-alanyl-D-alloisoleucyl-L-leucyl-D-tryptophyl-D-alpha-glutamyl)

Registry Numbers

CAS Registry Number

  • 136553-74-7

System Generated Number

  • 0136553747

Structure Descriptors

InChI

1S/C31H44N6O7/c1-6-18(4)27(37-28(41)19(5)32)31(44)36-24(13-17(2)3)30(43)35-25(29(42)34-21(16-38)11-12-26(39)40)14-20-15-33-23-10-8-7-9-22(20)23/h7-10,15-16,18-19,21,24-25,27,33H,2,6,11-14,32H2,1,3-5H3,(H,34,42)(H,35,43)(H,36,44)(H,37,41)(H,39,40)/t18-,19-,21+,24-,25+,27+/m0/s1

InChIKey

MBHURWYWZFYDQD-HDUXTRFBSA-N

Smiles

C([C@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](N)C)=O)[C@H](CC)C)=O)CC(C)=C)=O)Cc1c[nH]c2ccccc12)=O)CCC(=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 1342, 1991.