methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-keto-1H-quinazolin-2-yl)propanoylamino]propionic acid methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O4/c1-31-23(30)19(12-14-13-24-17-8-4-2-6-15(14)17)26-21(28)11-10-20-25-18-9-5-3-7-16(18)22(29)27-20/h2-9,13,19,24H,10-12H2,1H3,(H,26,28)(H,25,27,29)/t19-/m0/s1