(2S)-4-methyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]valeric acid Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN3CCCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN3CCCC3

InChI

InChI=1S/C19H26N4O2/c1-13(2)11-16(19(24)25)21-18-14-7-3-4-8-15(14)20-17(22-18)12-23-9-5-6-10-23/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3,(H,24,25)(H,20,21,22)/t16-/m0/s1