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

Systemtic Name: (2S)-3-methyl-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]butanoate Traditional Name: (2S)-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]-3-methyl-butyrate Formula: C17H20N3O4- MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O4/c1-11(2)15(17(23)24)19-14(21)8-5-9-20-10-18-13-7-4-3-6-12(13)16(20)22/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,19,21)(H,23,24)/p-1/t15-/m0/s1