Awajanomycin

AlkaPlorer ID: AK036649

Synonym: None

IUPAC Name: (1R,4S,5R,8S)-1-hydroxy-8-[(E,3S)-3-hydroxydec-1-enyl]-4-methyl-6-oxa-3-azabicyclo[3.2.1]octane-2,7-dione

Structure

SMILES: CCCCCCC[C@H](O)/C=C/[C@H]1[C@H]2OC(=O)[C@]1(O)C(O)=N[C@H]2C

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InChI: InChI=1S/C17H27NO5/c1-3-4-5-6-7-8-12(19)9-10-13-14-11(2)18-15(20)17(13,22)16(21)23-14/h9-14,19,22H,3-8H2,1-2H3,(H,18,20)/b10-9+/t11-,12-,13-,14-,17+/m0/s1

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InChIKey: XDVNOKOPZHBIMT-KUSFZDPBSA-N

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Properties Information

Molecule Weight: 325.4050000000001

TPSA: 99.35

MolLogP: 1.8953

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information