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

Systemtic Name: (2R)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]propanoic acid Openeye Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]propanoic acid CAS Name: (2R)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]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)C3=CC=C(C=C3)C(=O)NC(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)N[C@H](C)C(=O)O

InChI

InChI=1S/C23H22N4O4/c1-4-11-27(13-16-5-10-20-19(12-16)22(29)26-15(3)25-20)18-8-6-17(7-9-18)21(28)24-14(2)23(30)31/h1,5-10,12,14H,11,13H2,2-3H3,(H,24,28)(H,30,31)(H,25,26,29)/t14-/m1/s1