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

Systemtic Name: methyl (2S)-2-[[2-[(cyclopentylcarbonylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(cyclopentanecarbonylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[[cyclopentyl(oxo)methyl]amino]methyl]-4-quinazolinyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(cyclopentanecarbonylamino)methyl]quinazolin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(cyclopentanecarbonylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butyric acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3CCCC3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3CCCC3

InChI

InChI=1S/C21H28N4O3/c1-13(2)18(21(27)28-3)25-19-15-10-6-7-11-16(15)23-17(24-19)12-22-20(26)14-8-4-5-9-14/h6-7,10-11,13-14,18H,4-5,8-9,12H2,1-3H3,(H,22,26)(H,23,24,25)/t18-/m0/s1