(2R)-3-methyl-2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoic acid CAS Name: (2R)-3-methyl-2-[[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]amino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]amino]butanoic acid Traditional Name: (2R)-3-methyl-2-[[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]amino]butyric acid Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)O)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-11(2)16(19(24)25)21-15(23)10-27-18-12-6-3-4-7-13(12)20-17(22-18)14-8-5-9-26-14/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,24,25)/t16-/m1/s1