3-[2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(1-cyclopropyl-4-methoxycarbonyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(4-carbomethoxy-1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2C(=O)OC)C)C3CC3)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2C(=O)OC)C)C3CC3)C)CCC(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-10-14(7-8-16(26)27)19(28)23-21(22-10)31-9-15(25)17-11(2)24(13-5-6-13)12(3)18(17)20(29)30-4/h13H,5-9H2,1-4H3,(H,26,27)(H,22,23,28)