UNPD34967

AlkaPlorer ID: AK526221

Synonym: None

IUPAC Name: N-[(1R)-1-[4-[(1Z,3E)-6-[(1R,2S,5S)-2,5-dihydroxy-2-methylcyclohexyl]-5-oxohexa-1,3-dienyl]-1,3-thiazol-2-yl]ethyl]acetamide

Structure

SMILES: CC(O)=N[C@H](C)C1=NC(/C=C\C=C\C(=O)C[C@H]2C[C@@H](O)CC[C@]2(C)O)=CS1

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InChI: InChI=1S/C20H28N2O4S/c1-13(21-14(2)23)19-22-16(12-27-19)6-4-5-7-17(24)10-15-11-18(25)8-9-20(15,3)26/h4-7,12-13,15,18,25-26H,8-11H2,1-3H3,(H,21,23)/b6-4-,7-5+/t13-,15+,18+,20+/m1/s1

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InChIKey: SRGQWBBXQYFQCY-IJOPZJSRSA-N

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Properties Information

Molecule Weight: 392.5210000000001

TPSA: 103.01

MolLogP: 3.621100000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information