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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]propionic acid methyl ester Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H24N4O4/c1-32-24(31)20(13-15-14-25-18-9-4-2-7-16(15)18)27-22(29)12-6-11-21-26-19-10-5-3-8-17(19)23(30)28-21/h2-5,7-10,14,20,25H,6,11-13H2,1H3,(H,27,29)(H,26,28,30)/t20-/m0/s1