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

Systemtic Name: (2S)-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanedioic acid Openeye Name: (2S)-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]glutaric acid Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H22N4O4/c23-16(24)8-7-14(18(25)26)20-17-12-5-1-2-6-13(12)19-15(21-17)11-22-9-3-4-10-22/h1-2,5-6,14H,3-4,7-11H2,(H,23,24)(H,25,26)(H,19,20,21)/t14-/m0/s1