(2S,3S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-3-hydroxy-butyrate Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)C[NH+](C)C)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)C[NH+](C)C)O

InChI

InChI=1S/C15H20N4O3/c1-9(20)13(15(21)22)18-14-10-6-4-5-7-11(10)16-12(17-14)8-19(2)3/h4-7,9,13,20H,8H2,1-3H3,(H,21,22)(H,16,17,18)/t9-,13-/m0/s1