3-[6-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=O)C(=C(N3)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=O)C(=C(N3)C)CCC(=O)O

InChI

InChI=1S/C20H20N4O5S/c1-11-10-15(24-29-11)22-19(28)17(13-6-4-3-5-7-13)30-20-21-12(2)14(18(27)23-20)8-9-16(25)26/h3-7,10,17H,8-9H2,1-2H3,(H,25,26)(H,21,23,27)(H,22,24,28)