Cytosaminomycin A

AlkaPlorer ID: AK017916

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

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

Structure

SMILES: CS/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/C22H34N4O8S/c1-11-17(25(3)4)18(29)19(30)21(33-11)34-20-12(2)32-16(10-13(20)27)26-8-6-14(24-22(26)31)23-15(28)7-9-35-5/h6-9,11-13,16-21,27,29-30H,10H2,1-5H3,(H,23,24,28,31)/b9-7+/t11-,12+,13-,16-,17-,18-,19+,20-,21-/m0/s1

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InChIKey: OEIFFRHFKRNPAL-DWROEDOGSA-N

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Properties Information

Molecule Weight: 514.6010000000002

TPSA: 159.10000000000002

MolLogP: -0.6569999999999983

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information