(2S)-3-methyl-2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]butanoate Traditional Name: (2S)-2-[6-(4-ketoquinazolin-3-yl)hexanoylamino]-3-methyl-butyrate Formula: C19H24N3O4- MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCCCCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCCCCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C19H25N3O4/c1-13(2)17(19(25)26)21-16(23)10-4-3-7-11-22-12-20-15-9-6-5-8-14(15)18(22)24/h5-6,8-9,12-13,17H,3-4,7,10-11H2,1-2H3,(H,21,23)(H,25,26)/p-1/t17-/m0/s1