PTM-c

AlkaPlorer ID: AK016735

Synonym: None

IUPAC Name: None

Structure

SMILES: CCC1CC2CC3/C=C/C=C/C(=O)NCCCC4NC(=O)C(=C4O)C(=O)/C=C/C=C/C(O)C3C2C1C

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InChI: InChI=1S/C29H38N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,9,11-13,17-22,25-26,32,35H,3,8,10,14-16H2,1-2H3,(H,30,34)(H,31,36)/b9-4+,11-5+,12-6+,13-7+

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InChIKey: FIXCCFLCAJQMGL-ZBQDKYNCSA-N

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Properties Information

Molecule Weight: 494.6320000000002

TPSA: 115.73

MolLogP: 3.2962000000000016

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information