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Substance Name: Trichosporin B-iiia
RN: 107395-31-3
InChIKey: IXZJSYKCHHWEOI-UHFFFAOYSA-N

Note

  • From Trichoderma polysporum.

Molecular Formula

  • C91-H151-N23-O24

Molecular Weight

  • 1951.3309
 
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Names and Synonyms

Name of Substance

  • Trichosporin B-iiia

Synonym

  • 2-L-Alanine-3-L-alanine-6-(2-methylalanine)-9-L-leucine-18-L-glutaminealamethicin I

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 107395-31-3

System Generated Number

  • 0107395313

Structure Descriptors

InChI

1S/C91H151N23O24/c1-46(2)41-58(72(127)110-91(25,26)83(138)114-40-30-33-60(114)74(129)105-65(48(5)6)75(130)111-90(23,24)82(137)113-87(17,18)79(134)102-56(35-38-62(93)118)70(125)101-55(34-37-61(92)117)69(124)99-54(45-115)43-53-31-28-27-29-32-53)100-64(120)44-95-76(131)84(11,12)109-73(128)59(42-47(3)4)104-78(133)86(15,16)108-71(126)57(36-39-63(94)119)103-80(135)88(19,20)112-81(136)89(21,22)107-68(123)51(9)97-66(121)49(7)96-67(122)50(8)98-77(132)85(13,14)106-52(10)116/h27-29,31-32,46-51,54-60,65,115H,30,33-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,131)(H,96,122)(H,97,121)(H,98,132)(H,99,124)(H,100,120)(H,101,125)(H,102,134)(H,103,135)(H,104,133)(H,105,129)(H,106,116)(H,107,123)(H,108,126)(H,109,128)(H,110,127)(H,111,130)(H,112,136)(H,113,137)

InChIKey

IXZJSYKCHHWEOI-UHFFFAOYSA-N

Smiles

CC(C)CC(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(Cc2ccccc2)CO)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C