(2S,3S)-3-oxidanyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: (2S,3S)-3-oxidanyl-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S,3S)-3-hydroxy-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: (2S,3S)-3-hydroxy-2-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S,3S)-3-hydroxy-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S,3S)-3-hydroxy-2-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]butyric acid Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-11(22)15(17(23)24)20-16-12-6-2-3-7-13(12)18-14(19-16)10-21-8-4-5-9-21/h2-3,6-7,11,15,22H,4-5,8-10H2,1H3,(H,23,24)(H,18,19,20)/t11-,15-/m0/s1