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Substance Name: Zervamicin IIb
RN: 79395-85-0
InChIKey: ORHLIQNDLPNECR-ABXCHVPDSA-N

Note

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

Molecular Formula

  • C90-H139-N19-O22

Molecular Weight

  • 1839.1991
 
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Names and Synonyms

Name of Substance

  • Zervamicin IIB

Systematic Name

  • Zervamicin IIB

Registry Numbers

CAS Registry Number

  • 79395-85-0

System Generated Number

  • 0079395850

Structure Descriptors

InChI

1S/C90H139N19O22/c1-19-48(6)68(99-71(117)62(94-51(9)112)40-53-43-93-58-31-26-25-30-57(53)58)78(124)97-60(34-36-67(92)116)73(119)106-90(18,21-3)82(128)101-69(49(7)20-2)79(125)100-70(50(8)111)80(126)105-86(10,11)81(127)98-61(38-47(4)5)74(120)103-89(16,17)84(130)108-44-55(113)41-64(108)76(122)96-59(33-35-66(91)115)72(118)102-88(14,15)85(131)109-45-56(114)42-65(109)77(123)104-87(12,13)83(129)107-37-27-32-63(107)75(121)95-54(46-110)39-52-28-23-22-24-29-52/h22-26,28-31,43,47-50,54-56,59-65,68-70,93,110-111,113-114H,19-21,27,32-42,44-46H2,1-18H3,(H2,91,115)(H2,92,116)(H,94,112)(H,95,121)(H,96,122)(H,97,124)(H,98,127)(H,99,117)(H,100,125)(H,101,128)(H,102,118)(H,103,120)(H,104,123)(H,105,126)(H,106,119)/t48-,49-,50+,54+,55+,56+,59-,60-,61-,62-,63-,64-,65-,68-,69-,70-,90+/m0/s1

InChIKey

ORHLIQNDLPNECR-ABXCHVPDSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)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)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N2C[C@@H](C[C@H]2C(=O)NC(C)(C)C(=O)N3CCC[C@H]3C(=O)N[C@H](Cc4ccccc4)CO)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C