(2S)-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenyl-acetic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H25N3O4/c28-22(26-21(24(30)31)17-6-2-1-3-7-17)18-12-10-16(11-13-18)14-27-15-25-20-9-5-4-8-19(20)23(27)29/h1-9,15-16,18,21H,10-14H2,(H,26,28)(H,30,31)/t16?,18?,21-/m0/s1