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

Systemtic Name: 3-methyl-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoic acid Traditional Name: 2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-3-methyl-butyric acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-5-12-29(14-17-6-11-21-20(13-17)24(31)27-16(4)26-21)19-9-7-18(8-10-19)23(30)28-22(15(2)3)25(32)33/h1,6-11,13,15,22H,12,14H2,2-4H3,(H,28,30)(H,32,33)(H,26,27,31)