PTM-b

AlkaPlorer ID: AK016733

Synonym: None

IUPAC Name: None

Structure

SMILES: CCC1CC2CC3/C=C/C=C/C(=O)NCCC(O)C4NC(=O)C(=C4O)C(=O)/C=C/C=C/C(C)C3C2C1C

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InChI: InChI=1S/C30H40N2O5/c1-4-19-15-21-16-20-10-6-8-12-24(35)31-14-13-23(34)28-29(36)27(30(37)32-28)22(33)11-7-5-9-17(2)25(20)26(21)18(19)3/h5-12,17-21,23,25-26,28,34,36H,4,13-16H2,1-3H3,(H,31,35)(H,32,37)/b9-5+,10-6+,11-7+,12-8+

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InChIKey: VRHCURXCHZEXDW-HFBXSBKTSA-N

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Properties Information

Molecule Weight: 508.6590000000002

TPSA: 115.73000000000002

MolLogP: 3.542200000000002

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