Erythrazole B

AlkaPlorer ID: AK297847

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC2=C(SC(C(=O)NCC(=O)O)=N2)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC/C(C)=C/CC(=O)O)=C1O

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InChI: InChI=1S/C33H44N2O7S/c1-21(9-6-10-22(2)12-8-14-24(4)16-18-28(36)37)11-7-13-23(3)15-17-25-30(40)27(42-5)19-26-31(25)43-33(35-26)32(41)34-20-29(38)39/h10-11,15-16,19,40H,6-9,12-14,17-18,20H2,1-5H3,(H,34,41)(H,36,37)(H,38,39)/b21-11+,22-10+,23-15+,24-16+

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InChIKey: ZYIFWTDXOSUKLM-NIFISUEWSA-N

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Reference

CAS: 1350451-74-9

Properties Information

Molecule Weight: 612.7890000000006

TPSA: 146.05

MolLogP: 7.358000000000008

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information