methyl (2S)-3-methyl-2-[[2-[(2-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(2-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(2-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[(1-oxo-2-phenylpropyl)amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[(2-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-2-[[2-[(hydratropoylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butyric acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C(C)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-15(2)21(24(30)31-4)28-22-18-12-8-9-13-19(18)26-20(27-22)14-25-23(29)16(3)17-10-6-5-7-11-17/h5-13,15-16,21H,14H2,1-4H3,(H,25,29)(H,26,27,28)/t16?,21-/m0/s1