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

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(3-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(3-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[(1-oxo-3-phenylpropyl)amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[(3-phenylpropanoylamino)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-2-[[2-[(hydrocinnamoylamino)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)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3/c1-16(2)22(24(30)31-3)28-23-18-11-7-8-12-19(18)26-20(27-23)15-25-21(29)14-13-17-9-5-4-6-10-17/h4-12,16,22H,13-15H2,1-3H3,(H,25,29)(H,26,27,28)/t22-/m0/s1