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Substance Name: Zervamicin-IC
RN: 79392-51-1
InChIKey: UANPZYMIDSWMDL-GDXYUTCBSA-N

Note

  • One of a family of 16 residue peptaibol channel formers.

Molecular Formula

  • C90-H138-N18-O23

Molecular Weight

  • 1841.1911
 
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Names and Synonyms

Name of Substance

  • Zervamicin-IC

Systematic Name

  • Zervamicin IC

Registry Numbers

CAS Registry Number

  • 79392-51-1

System Generated Number

  • 0079392511

Structure Descriptors

InChI

1S/C90H139N18O23/c1-19-48(6)68(98-72(118)62(94-51(9)111)40-53-43-93-58-31-26-25-30-57(53)58)78(124)96-60(34-36-67(115)116)74(120)105-90(18,21-3)82(128)100-69(49(7)20-2)79(125)99-70(50(8)110)80(126)104-86(10,11)81(127)97-61(38-47(4)5)75(121)102-88(14,15)83(129)106-44-55(112)41-63(106)76(122)95-59(33-35-66(91)114)73(119)101-87(12,13)84(130)107-45-56(113)42-64(107)77(123)103-89(16,17)85(131)108(37-27-32-65(108)71(92)117)54(46-109)39-52-28-23-22-24-29-52/h22-26,28-31,43,47-50,54-56,59-65,68-70,93,109-110,112-113H,19-21,27,32-42,44-46H2,1-18H3,(H2,91,114)(H2,92,117)(H,94,111)(H,95,122)(H,96,124)(H,97,127)(H,98,118)(H,99,125)(H,100,128)(H,101,119)(H,102,121)(H,103,123)(H,104,126)(H,105,120)(H,115,116)/t48-,49-,50+,54?,55+,56+,59-,60-,61-,62-,63-,64-,65-,68-,69-,70-,90-/m0/s1

InChIKey

UANPZYMIDSWMDL-GDXYUTCBSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@](C)(CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N4C[C@H](O)C[C@H]4C(=O)NC(C)(C)C(=O)[N@]5(CCC[C@H]5C(=O)N)C(CO)Cc6ccccc6