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

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(2-phenylethanoylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[[(2-phenylacetyl)amino]methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[(1-oxo-2-phenylethyl)amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[[(2-phenylacetyl)amino]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[[(2-phenylacetyl)amino]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-15(2)21(23(29)30-3)27-22-17-11-7-8-12-18(17)25-19(26-22)14-24-20(28)13-16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3,(H,24,28)(H,25,26,27)/t21-/m0/s1