Azoxymycin B

AlkaPlorer ID: AK326363

Synonym: None

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

Structure

SMILES: NC(=O)CCC(NC(=O)/C=C/C=C/C1=CC=C([N+]([O-])=NC2=CC=C(/C=C/C=C/C(=O)O)C=C2)C=C1)C(=O)O

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InChI: InChI=1S/C27H26N4O7/c28-24(32)18-17-23(27(36)37)29-25(33)7-3-1-5-20-11-15-22(16-12-20)31(38)30-21-13-9-19(10-14-21)6-2-4-8-26(34)35/h1-16,23H,17-18H2,(H2,28,32)(H,29,33)(H,34,35)(H,36,37)/b5-1+,6-2+,7-3+,8-4+,31-30?

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InChIKey: YUKFJTPWSMXPSM-XKWURUNZSA-N

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Properties Information

Molecule Weight: 518.5260000000003

TPSA: 185.22

MolLogP: 3.670600000000001

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information