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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]propionic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-13(2)19(25-12-23-17-6-4-3-5-16(17)21(25)28)20(27)24-18(22(29)30)11-14-7-9-15(26)10-8-14/h3-10,12-13,18-19,26H,11H2,1-2H3,(H,24,27)(H,29,30)