2-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]amino]-3-phenyl-propanoic acid CAS Name: 2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]-3-phenylpropanoic acid IUPAC Name: 2-[benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]-3-phenylpropanoic acid Traditional Name: 2-[benzoyl-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]-3-phenyl-propionic acid Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H26N4O4/c1-3-16-32(19-22-14-15-25-24(17-22)27(34)31-20(2)30-25)33(28(35)23-12-8-5-9-13-23)26(29(36)37)18-21-10-6-4-7-11-21/h1,4-15,17,26H,16,18-19H2,2H3,(H,36,37)(H,30,31,34)