(3S)-3-(3,4-dimethoxyphenyl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate

Systemtic Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate Openeye Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoate IUPAC Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[3-(4-ketoquinazolin-3-yl)propanoylamino]propionate Formula: C22H22N3O6- MolecularWeight: 424.42658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)[O-])NC(=O)CCN2C=NC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CCN2C=NC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H23N3O6/c1-30-18-8-7-14(11-19(18)31-2)17(12-21(27)28)24-20(26)9-10-25-13-23-16-6-4-3-5-15(16)22(25)29/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,24,26)(H,27,28)/p-1/t17-/m0/s1