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

Systemtic Name: methyl (2S)-3-methyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]butanoate Traditional Name: (2S)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-methyl-butyric acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H21N3O4/c1-11(2)15(17(23)24-3)19-14(21)8-9-20-10-18-13-7-5-4-6-12(13)16(20)22/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,21)/t15-/m0/s1