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Substance Name: Trichovirin I IB
RN: 137042-20-7
InChIKey: ZLJDXWKMSSANHK-HMPCVODFSA-N

Note

  • A peptaibiotic, alpha-aminobutyric acid-rich secondary metabolite of fungi.

Molecular Formula

  • C67-H115-N15-O17

Molecular Weight

  • 1402.7335
 
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Names and Synonyms

Name of Substance

  • Trichovirin I IB

Synonym

  • Harzianin HC I

Systematic Name

  • L-Prolinamide, N-acetyl-2-methylalanyl-L-asparaginyl-L-leucyl-2-methylalanyl-L-prolyl-L-seryl-L-valyl-2-methylalanyl-L-prolyl-2-methylalanyl-L-leucyl-2-methylalanyl-N-(1-(hydroxymethyl)-3-methylbutyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 137042-20-7

Other Registry Number

  • 167257-43-4

System Generated Number

  • 0137042207

Structure Descriptors

InChI

1S/C67H115N15O17/c1-35(2)29-40(33-83)69-54(91)45-23-20-26-80(45)60(97)66(16,17)77-53(90)42(31-37(5)6)72-59(96)64(12,13)78-56(93)47-25-22-28-82(47)62(99)67(18,19)79-57(94)49(38(7)8)74-51(88)44(34-84)71-55(92)46-24-21-27-81(46)61(98)65(14,15)76-52(89)41(30-36(3)4)70-50(87)43(32-48(68)86)73-58(95)63(10,11)75-39(9)85/h35-38,40-47,49,83-84H,20-34H2,1-19H3,(H2,68,86)(H,69,91)(H,70,87)(H,71,92)(H,72,96)(H,73,95)(H,74,88)(H,75,85)(H,76,89)(H,77,90)(H,78,93)(H,79,94)/t40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1

InChIKey

ZLJDXWKMSSANHK-HMPCVODFSA-N

Smiles

CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)C(C)(C)NC(=O)C