Sparsomycin; (Z)-Isomer 

AlkaPlorer ID: AK313823

Synonym: Isosparsomycin

IUPAC Name: (E)-N-[1-hydroxy-3-(methylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

Structure

SMILES: CSCS(=O)CC(CO)NC(=O)/C=C/C1=C(C)NC(=O)NC1=O

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InChI: InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+

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InChIKey: XKLZIVIOZDNKEQ-ONEGZZNKSA-N

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Properties Information

Molecule Weight: 361.4450000000001

TPSA: 132.11999999999998

MolLogP: -1.068879999999999

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information