4,4'-Azobis[5-phenyl-2,4-pentadienoic acid]; (all-E)-form, N-Oxide, di(L-glutamine)amide 

AlkaPlorer ID: AK290035

Synonym: Azoxymycin A

IUPAC Name: [4-[(1E,3E)-5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]-[4-[(1E,3E)-5-[(4-amino-1-carboxy-4-oxobutyl)amino]-5-oxopenta-1,3-dienyl]phenyl]imino-oxidoazanium

Structure

SMILES: NC(=O)CCC(NC(=O)/C=C/C=C/C1=CC=C(N=[N+]([O-])C2=CC=C(/C=C/C=C/C(=O)NC(CCC(N)=O)C(=O)O)C=C2)C=C1)C(=O)O

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InChI: InChI=1S/C32H34N6O9/c33-27(39)19-17-25(31(43)44)35-29(41)7-3-1-5-21-9-13-23(14-10-21)37-38(47)24-15-11-22(12-16-24)6-2-4-8-30(42)36-26(32(45)46)18-20-28(34)40/h1-16,25-26H,17-20H2,(H2,33,39)(H2,34,40)(H,35,41)(H,36,42)(H,43,44)(H,45,46)/b5-1+,6-2+,7-3+,8-4+,38-37?

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InChIKey: WSIYCVSSMDOSIR-WZOFXVQXSA-N

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Properties Information

Molecule Weight: 646.6570000000005

TPSA: 257.41

MolLogP: 2.4209

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information