Lincomycin B

AlkaPlorer ID: AK032752

Synonym: "4'-Depropyl-4'-ethyllincomycin", 'U 21699', 'Lincomycin B', 'Antibiotic U 21699'

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

Structure

SMILES: CC[C@@H]1C[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)N(C)C1

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

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InChIKey: DZSDDKNXMARQMJ-AVXYAQEDSA-N

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Properties Information

Molecule Weight: 392.51800000000014

TPSA: 125.98000000000002

MolLogP: -0.4067999999999987

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information