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

Systemtic Name: (3S)-3-(4-methoxyphenyl)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate Openeye Name: (3S)-3-(4-methoxyphenyl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoate IUPAC Name: (3S)-3-(4-methoxyphenyl)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate Traditional Name: (3S)-3-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-(4-methoxyphenyl)propionate Formula: C21H20N3O5- MolecularWeight: 394.4006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-29-15-8-6-14(7-9-15)18(12-20(26)27)23-19(25)10-11-24-13-22-17-5-3-2-4-16(17)21(24)28/h2-9,13,18H,10-12H2,1H3,(H,23,25)(H,26,27)/p-1/t18-/m0/s1