3-[6-methyl-2-[3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[1-(benzylcarbamoyl)-2-methyl-propyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[3-methyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[1-(benzylcarbamoyl)-2-methyl-propyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C(C)C)C(=O)NCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C(C)C)C(=O)NCC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C20H25N3O4S/c1-12(2)17(19(27)21-11-14-7-5-4-6-8-14)28-20-22-13(3)15(18(26)23-20)9-10-16(24)25/h4-8,12,17H,9-11H2,1-3H3,(H,21,27)(H,24,25)(H,22,23,26)