2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4S/c1-30-12-11-19(25-14-23-17-10-6-5-9-16(17)21(25)27)20(26)24-18(22(28)29)13-15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3,(H,24,26)(H,28,29)