methyl (2S)-2-[[2-[[(4-methoxy-4-oxidanylidene-butanoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-[[(4-methoxy-4-oxidanylidene-butanoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[[(4-methoxy-4-oxo-butanoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[(4-methoxy-1,4-dioxobutyl)amino]methyl]-4-quinazolinyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(4-methoxy-4-oxobutanoyl)amino]methyl]quinazolin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[[(4-keto-4-methoxy-butanoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butyric acid methyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CCC(=O)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CCC(=O)OC

InChI

InChI=1S/C20H26N4O5/c1-12(2)18(20(27)29-4)24-19-13-7-5-6-8-14(13)22-15(23-19)11-21-16(25)9-10-17(26)28-3/h5-8,12,18H,9-11H2,1-4H3,(H,21,25)(H,22,23,24)/t18-/m0/s1