2-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]propanoic acid

Systemtic Name: 2-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]propanoic acid Openeye Name: 2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]amino]propanoic acid CAS Name: 2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]propanoic acid IUPAC Name: 2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]propanoic acid Traditional Name: 2-[benzoyl-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]propionic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(C)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(C)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4/c1-4-12-26(14-17-10-11-20-19(13-17)21(28)25-16(3)24-20)27(15(2)23(30)31)22(29)18-8-6-5-7-9-18/h1,5-11,13,15H,12,14H2,2-3H3,(H,30,31)(H,24,25,28)