antimycin A3a

AlkaPlorer ID: AK039336

Synonym: 'Antimycin A3a'

IUPAC Name: [8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate

Structure

SMILES: CCCCC1C(=O)OCC(N=C(O)C2=CC=CC(N=CO)=C2O)C(=O)OC(C)C1OC(=O)C(C)CC

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InChI: InChI=1S/C25H34N2O9/c1-5-7-9-17-21(36-23(31)14(3)6-2)15(4)35-25(33)19(12-34-24(17)32)27-22(30)16-10-8-11-18(20(16)29)26-13-28/h8,10-11,13-15,17,19,21,29H,5-7,9,12H2,1-4H3,(H,26,28)(H,27,30)

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InChIKey: AZVOLHUZWCOOKC-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 506.5520000000003

TPSA: 164.30999999999997

MolLogP: 3.5360000000000023

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information