spumigin k

AlkaPlorer ID: AK359819

Synonym: None

IUPAC Name: N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-[2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide

Structure

SMILES: CC1CC(C(O)=NC2CCCN(C(=N)N)C2O)N(C(=O)C(CC2=CC=C(O)C=C2)N=C(O)C(O)CCC2=CC=C(O)C=C2)C1

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InChI: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)

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InChIKey: CUYCVKFWPTWZJN-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 610.7120000000002

TPSA: 219.51999999999995

MolLogP: 1.8288700000000029

Number of H-Donors: 8

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information