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Homodestruxin b

  • Formula: C31H53N5O7

  • Molecular weight: 607.80

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)CC)C

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Homodestruxin b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Homodestruxin b

  • First synonym: Homodestruxin b

  • Synonyms: Homodestruxin B,110538-19-7,(3R,10S,16S,19S)-13,16-bis[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone,Homo-destruxin B,DTXSID40911727,Destruxin B, 3-(N-methyl-L-isoleucine)-,3,6-Di(butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-16-(2-methylpropyl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone

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Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)CC)C

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N(C(C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(C)C)C)C)[C@@H](C)CC)C

  • Inchi: InChI=1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)/t19-,20-,21-,22-,23+,25-,26?/m0/s1

  • Inchikey: WWALEZSSEHJILM-GNUKRQLOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H53N5O7

  • Molecular weight: 607.80

  • Monoisotopic mass: 607.39449905

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