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

Systemtic Name: (2S)-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propionic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1CCC(CC1)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H23N3O4/c1-12(19(25)26)21-17(23)14-8-6-13(7-9-14)10-22-11-20-16-5-3-2-4-15(16)18(22)24/h2-5,11-14H,6-10H2,1H3,(H,21,23)(H,25,26)/t12-,13?,14?/m0/s1