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Substance Name: Cochinmicin IV
RN: 146874-41-1
InChIKey: IGUQVVLOCYHROT-UHFFFAOYSA-N

Note

  • Endothelin antagonist; cyclodepsipeptide from Microbispora sp.

Molecular Weight

  • 940.358
 
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Names and Synonyms

  • Cochinmicin IV

Registry Numbers

CAS Registry Number

  • 146874-41-1

System Generated Number

  • 0146874411

Structure Descriptors

InChI

1S/C46H46ClN7O13/c1-23-37(52-42(62)34(15-25-10-6-3-7-11-25)49-40(60)32-12-13-36(47)48-32)44(64)50-33(14-24-8-4-2-5-9-24)41(61)51-35(22-55)43(63)53-38(26-16-28(56)20-29(57)17-26)45(65)54-39(46(66)67-23)27-18-30(58)21-31(59)19-27/h2-13,16-21,23,33-35,37-39,48,55-59H,14-15,22H2,1H3,(H,49,60)(H,50,64)(H,51,61)(H,52,62)(H,53,63)(H,54,65)

InChIKey

IGUQVVLOCYHROT-UHFFFAOYSA-N

Smiles

N1[C@@H](Cc2ccccc2)C(N[C@@H](CO)C(=O)N[C@@H](c2cc(cc(c2)O)O)C(=O)N[C@@H](C(=O)O[C@@H](C)[C@@H](NC([C@@H](NC(c2ccc([nH]2)Cl)=O)Cc2ccccc2)=O)C1=O)c1cc(cc(O)c1)O)=O