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

Systemtic Name: (2R)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-2-phenyl-acetic acid CAS Name: (2R)-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-2-phenylacetic acid Traditional Name: (2R)-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-2-phenyl-acetic acid Formula: C28H24N4O4 MolecularWeight: 480.51456

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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(C4=CC=CC=C4)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](C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H24N4O4/c1-3-15-32(17-19-9-14-24-23(16-19)27(34)30-18(2)29-24)22-12-10-21(11-13-22)26(33)31-25(28(35)36)20-7-5-4-6-8-20/h1,4-14,16,25H,15,17H2,2H3,(H,31,33)(H,35,36)(H,29,30,34)/t25-/m1/s1