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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]propanoate Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]propanoate IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]propionate Formula: C23H21N4O4- MolecularWeight: 417.43724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N4O4/c28-21(10-5-11-27-14-25-19-9-4-2-7-17(19)22(27)29)26-20(23(30)31)12-15-13-24-18-8-3-1-6-16(15)18/h1-4,6-9,13-14,20,24H,5,10-12H2,(H,26,28)(H,30,31)/p-1/t20-/m0/s1