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PF-1191

  • Formula: C18H21Cl2N3O9

  • Molecular weight: 494.30

  • Smiles: C1CC(NC1CC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl)(C(C(C(=O)O)N)O)C(=O)O

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PF-1191

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

Names

  • Mycotoxin name: PF-1191

  • First synonym: None

  • Synonyms: Kaitocephalin,(-)-Kaitocephalin,198710-92-8,UNII-9B96C79PCS,9B96C79PCS,PF-1191,2,5-Pyrrolidinedipropanoic acid, alpha2-amino-2-carboxy-alpha5-((3,5-dichloro-4-hydroxybenzoyl)amino)-beta2-hydroxy-, (alpha2R,alpha5S,beta2S,2R,5R)-,(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-[(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl]pyrrolidine-2-carboxylic acid,(5r)-2-[(1s,2r)-2-Amino-2-Carboxy-1-Hydroxyethyl]-5-{(2s)-2-Carboxy-2-[(3,5-Dichloro-4-Hydroxybenzoyl)amino]ethyl}-L-Proline,2,5-PYRROLIDINEDIPROPANOIC ACID, .ALPHA.2-AMINO-2-CARBOXY-.ALPHA.5-((3,5-DICHLORO-4-HYDROXYBENZOYL)AMINO)-.BETA.2-HYDROXY-, (.ALPHA.2R,.ALPHA.5S,.BETA.2S,2R,5R)-,2,5-Pyrrolidinedipropanoic acid, alpha2-amino-2-carboxy-alpha5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-beta2-hydroxy-, (alpha2R,alpha5S,beta2S,2R,5R)-,(2R,5R)-2-((1S,2R)-2-amino-2-carboxy-1-hydroxyethyl)-5-((2S)-2-carboxy-2-((3,5-dichloro-4-hydroxybenzoyl)amino)ethyl)pyrrolidine-2-carboxylic acid,DTXSID801316521,2-(2-amino-2-carboxy-1-hydroxyethyl)-5-(2-carboxy-2-((3,5-dichloro-4-hydroxybenzoyl)amino)ethyl)pyrrolidine-2-carboxylic acid,2-(2-amino-2-carboxy-1-hydroxyethyl)-5-[2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl]pyrrolidine-2-carboxylic acid,Q27272312,0YS,L-Proline, 2-((1S,2R)-2-amino-2-carboxy-1-hydroxyethyl)-5-((2S)-2-carboxy-2-((3,5-dichloro-4-hydroxybenzoyl)amino)ethyl)-, (5R)-

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Structure

  • Smiles: C1CC(NC1CC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl)(C(C(C(=O)O)N)O)C(=O)O

  • Isomeric smiles: C1C[C@@](N[C@H]1C[C@@H](C(=O)O)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl)([C@H]([C@H](C(=O)O)N)O)C(=O)O

  • Inchi: InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1

  • Inchikey: AJQRDRIPQOAJCM-BWOKQULHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H21Cl2N3O9

  • Molecular weight: 494.30

  • Monoisotopic mass: 493.0654846

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Fungi

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