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Argadin

  • Formula: C29H42N10O9

  • Molecular weight: 674.70

  • Smiles: CC(=O)NC(=NCCCC1C(=O)N2CCCC2C(=O)NC3CC(N(C3=O)C(C(=O)NC(C(=O)N1)CCCC(=O)O)CC4=CN=CN4)O)N

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Argadin

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

  • Mycotoxin name: Argadin

  • First synonym: Argadin

  • Synonyms: Argadin,289665-92-5,CHEMBL445236,4-[(1S,4R,10S,13S,16S,18R)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid,FO 7314,1waw,1w9u,SCHEMBL141316,BDBM10854,DTXSID40332296,BDBM50089857,ZINC24693311,DB04350,Q654611,4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0^{4,8}]icosan-13-yl]butanoic acid,D-Proline, N-[2-(3-amino-5-hydroxy-2-oxo-1-pyrrolidinyl)-3-(1H-imidazol-4-yl)-1-oxopropyl]-5-carboxy-L-norvalyl-N5-[(acetylamino)iminomethyl]-L-ornithyl-, (3>1)-lactam (9CI)

Identifiers / External links

Structure

  • Smiles: CC(=O)NC(=NCCCC1C(=O)N2CCCC2C(=O)NC3CC(N(C3=O)C(C(=O)NC(C(=O)N1)CCCC(=O)O)CC4=CN=CN4)O)N

  • Isomeric smiles: CC(=O)NC(=NCCC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H]3C[C@H](N(C3=O)[C@H](C(=O)N[C@H](C(=O)N1)CCCC(=O)O)CC4=CN=CN4)O)N

  • Inchi: InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1

  • Inchikey: FOZYKTUSOWWQGR-KNPYFFGGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H42N10O9

  • Molecular weight: 674.70

  • Monoisotopic mass: 674.31362296

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