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TMC-2B

  • Formula: C28H34N4O8

  • Molecular weight: 554.60

  • Smiles: CC(CC(C(=O)O)NC(=O)C1CC2=CC(=C(C(=C2CN1C(=O)C(CC3=CNC4=CC=CC=C43)N)O)OC)O)CO

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TMC-2B

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

  • Mycotoxin name: TMC-2B

  • First synonym: None

  • Synonyms: TMC-2B,(2S)-2-[[(3S)-2-[(2S)-2-Amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-methylpentanoic acid,CHEBI:199570

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Structure

  • Smiles: CC(CC(C(=O)O)NC(=O)C1CC2=CC(=C(C(=C2CN1C(=O)C(CC3=CNC4=CC=CC=C43)N)O)OC)O)CO

  • Isomeric smiles: CC(C[C@@H](C(=O)O)NC(=O)[C@@H]1CC2=CC(=C(C(=C2CN1C(=O)[C@H](CC3=CNC4=CC=CC=C43)N)O)OC)O)CO

  • Inchi: InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21-,22-/m0/s1

  • Inchikey: WVYIXBYYAHYOIW-KQNCPTOESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H34N4O8

  • Molecular weight: 554.60

  • Monoisotopic mass: 554.23766406

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