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Substance Name: Trichosporin B-iiic
RN: 121689-07-4
InChIKey: NMJOEBWZMYWVIQ-RDOSJKPVSA-N

Note

  • From Trichoderma polysporum.

Molecular Formula

  • C90-H149-N23-O24

Molecular Weight

  • 1937.3041
 
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Names and Synonyms

Name of Substance

  • Trichosporin B-iiic

Systematic Name

  • Alamethicin I, 2-L-alanine-3-L-alanine-5-L-alanine-6-(2-methylalanine)-9-L-leucine-18-L-glutamine-

Registry Numbers

CAS Registry Number

  • 121689-07-4

System Generated Number

  • 0121689074

Structure Descriptors

InChI

1S/C90H149N23O24/c1-26-47(6)65(105-81(135)87(18,19)108-72(126)57(36-39-62(93)118)103-79(133)86(16,17)107-69(123)51(10)97-67(121)49(8)95-66(120)48(7)96-68(122)50(9)98-78(132)85(14,15)106-52(11)115)76(130)111-84(12,13)77(131)94-43-63(119)100-58(41-45(2)3)73(127)109-90(24,25)83(137)113-40-30-33-59(113)74(128)104-64(46(4)5)75(129)110-89(22,23)82(136)112-88(20,21)80(134)102-56(35-38-61(92)117)71(125)101-55(34-37-60(91)116)70(124)99-54(44-114)42-53-31-28-27-29-32-53/h27-29,31-32,45-51,54-59,64-65,114H,26,30,33-44H2,1-25H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,131)(H,95,120)(H,96,122)(H,97,121)(H,98,132)(H,99,124)(H,100,119)(H,101,125)(H,102,134)(H,103,133)(H,104,128)(H,105,135)(H,106,115)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,130)(H,112,136)/t47-,48-,49-,50-,51-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1

InChIKey

NMJOEBWZMYWVIQ-RDOSJKPVSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2ccccc2)CO)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C