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

Systemtic Name: (2S)-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid Openeye Name: (2S)-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid CAS Name: (2S)-2-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]valeric acid Formula: C18H24N4O2 MolecularWeight: 328.40876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-2-7-15(18(23)24)20-17-13-8-3-4-9-14(13)19-16(21-17)12-22-10-5-6-11-22/h3-4,8-9,15H,2,5-7,10-12H2,1H3,(H,23,24)(H,19,20,21)/t15-/m0/s1