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tryptoquialanine a

  • Formula: C27H26N4O7

  • Molecular weight: 518.50

  • Smiles: CC(C1=NC2=CC=CC=C2C(=O)N1C3CC4(C5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C

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tryptoquialanine a

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

Names

  • Mycotoxin name: tryptoquialanine a

  • First synonym: None

  • Synonyms: tryptoquialanine,Tryptoquialanine A,[(1S)-1-[3-[(3'R,3aS,4S)-3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]ethyl] acetate,CHEBI:198859,DTXSID701017900,475996-96-4

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Structure

  • Smiles: CC(C1=NC2=CC=CC=C2C(=O)N1C3CC4(C5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C

  • Isomeric smiles: C[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@]4([C@H]5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C

  • Inchi: InChI=1S/C27H26N4O7/c1-14(37-15(2)32)21-28-18-11-7-5-9-16(18)22(33)29(21)20-13-27(38-23(20)34)17-10-6-8-12-19(17)30-24(27)31(36)26(3,4)25(30)35/h5-12,14,20,24,36H,13H2,1-4H3/t14-,20+,24-,27-/m0/s1

  • Inchikey: NWBIHDXUFYUNGB-LROXJONJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H26N4O7

  • Molecular weight: 518.50

  • Monoisotopic mass: 518.18014918

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