Cytosaminomycin D

AlkaPlorer ID: AK017989

Synonym: 'Cytosaminomycin D', 'Antibiotic KO 8119D'

IUPAC Name: (E)-N-[1-[(2S,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-2-methylbut-2-enamide

Structure

SMILES: C/C=C(\C)C(=O)N=C1C=CN([C@@H]2C[C@@H](O)[C@@H](O[C@@H]3O[C@H](C)[C@H](N(C)C)[C@H](O)[C@H]3O)[C@@H](C)O2)C(O)=N1

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InChI: InChI=1S/C23H36N4O8/c1-7-11(2)21(31)24-15-8-9-27(23(32)25-15)16-10-14(28)20(13(4)33-16)35-22-19(30)18(29)17(26(5)6)12(3)34-22/h7-9,12-14,16-20,22,28-30H,10H2,1-6H3,(H,24,25,31,32)/b11-7+/t12-,13-,14-,16+,17+,18+,19-,20+,22+/m1/s1

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InChIKey: BIKHRIBBGRUYFE-YTEVKYETSA-N

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Properties Information

Molecule Weight: 496.5610000000002

TPSA: 159.10000000000002

MolLogP: -0.5674999999999975

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information