(2R)-3-methyl-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]butanoate

Systemtic Name: (2R)-3-methyl-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]butanoate Openeye Name: (2R)-3-methyl-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]butanoate CAS Name: (2R)-3-methyl-2-[[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]amino]butanoate IUPAC Name: (2R)-3-methyl-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]butanoate Traditional Name: (2R)-2-[3-(4-keto-1H-quinazolin-2-yl)propanoylamino]-3-methyl-butyrate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C16H19N3O4/c1-9(2)14(16(22)23)19-13(20)8-7-12-17-11-6-4-3-5-10(11)15(21)18-12/h3-6,9,14H,7-8H2,1-2H3,(H,19,20)(H,22,23)(H,17,18,21)/p-1/t14-/m1/s1