3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-4-oxo-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3)CCC(=O)O

InChI

InChI=1S/C19H22N4O5S/c1-11-13(4-5-16(25)26)17(27)22-19(21-11)29-10-15(24)12-8-14(20-9-12)18(28)23-6-2-3-7-23/h8-9,20H,2-7,10H2,1H3,(H,25,26)(H,21,22,27)