N-Demethyllincomycin

AlkaPlorer ID: AK039473

Synonym: 'N-Demethyllincomycin', 'N-demethyllincomycin', 'Antibiotic U 11973E', 'Lincomycin D'

IUPAC Name: (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-propylpyrrolidine-2-carboxamide

Structure

SMILES: CCC[C@H]1CN[C@H](C(O)=N[C@@H]([C@H]2O[C@@H](SC)[C@H](O)[C@H](O)[C@H]2O)[C@@H](C)O)C1

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InChI: InChI=1S/C17H32N2O6S/c1-4-5-9-6-10(18-7-9)16(24)19-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17-18,20-23H,4-7H2,1-3H3,(H,19,24)/t8-,9-,10+,11-,12-,13-,14-,15-,17+/m1/s1

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InChIKey: DKHKYHYYYGYWHY-GSFMGOMPSA-N

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Properties Information

Molecule Weight: 392.5180000000001

TPSA: 134.77

MolLogP: -0.358899999999998

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information