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

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(4-methylpentanoylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(4-methylpentanoylamino)methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[(4-methyl-1-oxopentyl)amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[(4-methylpentanoylamino)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[(4-methylpentanoylamino)methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NCC1=NC2=CC=CC=C2C(=N1)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC(C)CCC(=O)NCC1=NC2=CC=CC=C2C(=N1)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C21H30N4O3/c1-13(2)10-11-18(26)22-12-17-23-16-9-7-6-8-15(16)20(24-17)25-19(14(3)4)21(27)28-5/h6-9,13-14,19H,10-12H2,1-5H3,(H,22,26)(H,23,24,25)/t19-/m0/s1