(2S,3S)-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[2-(morpholinomethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[2-(morpholinomethyl)quinazolin-4-yl]ammonio]butyrate Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)CN3CCOCC3)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)CN3CCOCC3)O

InChI

InChI=1S/C17H22N4O4/c1-11(22)15(17(23)24)20-16-12-4-2-3-5-13(12)18-14(19-16)10-21-6-8-25-9-7-21/h2-5,11,15,22H,6-10H2,1H3,(H,23,24)(H,18,19,20)/t11-,15-/m0/s1