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N-methylsansalvamide

  • Formula: C33H52N4O6

  • Molecular weight: 600.80

  • Smiles: CC(C)CC1C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(C)C)CC(C)C

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N-methylsansalvamide

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

  • Mycotoxin name: N-methylsansalvamide

  • First synonym: N-methylsansalvamide

  • Synonyms: N-Methylsansalvamide,1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone, 10-methyl-12-(1-methylethyl)-3,9,15-tris(2-methylpropyl)-6-(phenylmethyl)-, (3S,6S,9S,12S,15S)-,6-Benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraaza-cyclopentadecane-2,5,8,11,14-pentaone,rel-(3R,6R,9R,12R,15R)-6-benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone

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Structure

  • Smiles: CC(C)CC1C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(C)C)CC(C)C

  • Isomeric smiles: CC(C)C[C@H]1C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(C)C)CC(C)C

  • Inchi: InChI=1S/C33H52N4O6/c1-19(2)15-25-33(42)43-27(17-21(5)6)31(40)36-28(22(7)8)32(41)37(9)26(16-20(3)4)30(39)34-24(29(38)35-25)18-23-13-11-10-12-14-23/h10-14,19-22,24-28H,15-18H2,1-9H3,(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-,28-/m0/s1

  • Inchikey: YMJKISFVUDJIHL-XLIKFSOKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H52N4O6

  • Molecular weight: 600.80

  • Monoisotopic mass: 600.38868539

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