(2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]propionate Formula: C22H19N4O4- MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N4O4/c27-20(9-10-26-13-24-18-8-4-2-6-16(18)21(26)28)25-19(22(29)30)11-14-12-23-17-7-3-1-5-15(14)17/h1-8,12-13,19,23H,9-11H2,(H,25,27)(H,29,30)/p-1/t19-/m0/s1