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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]propionic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-31-11-10-19(25-13-23-17-5-3-2-4-16(17)21(25)28)20(27)24-18(22(29)30)12-14-6-8-15(26)9-7-14/h2-9,13,18-19,26H,10-12H2,1H3,(H,24,27)(H,29,30)