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L-alanyl-l-tryptophan anhydride

  • Formula: C28H32N6O5

  • Molecular weight: 532.60

  • Smiles: CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)N)N

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L-alanyl-l-tryptophan anhydride

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

  • Mycotoxin name: L-alanyl-l-tryptophan anhydride

  • First synonym: L-alanyl-l-tryptophan anhydride

  • Synonyms: l-alanyl-l-tryptophan anhydride

Identifiers / External links

Structure

  • Smiles: CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(C)N)N

  • Isomeric smiles: C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)N)N

  • Inchi: InChI=1S/C28H32N6O5/c1-15(29)25(35)33-23(11-17-13-31-21-9-5-3-7-19(17)21)27(37)39-28(38)24(34-26(36)16(2)30)12-18-14-32-22-10-6-4-8-20(18)22/h3-10,13-16,23-24,31-32H,11-12,29-30H2,1-2H3,(H,33,35)(H,34,36)/t15-,16-,23-,24-/m0/s1

  • Inchikey: XTPPZKIGZGTKKH-TWJSWXTQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H32N6O5

  • Molecular weight: 532.60

  • Monoisotopic mass: 532.24341814

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