(2R)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]propanoate

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]propanoate Openeye Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]ammonio]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-(1H-imidazol-5-yl)propionate Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]C(CC2=CN=CN2)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@@H](C[NH2+][C@H](CC2=CN=CN2)C(=O)[O-])O

InChI

InChI=1S/C15H19N3O4/c19-12(9-22-13-4-2-1-3-5-13)8-17-14(15(20)21)6-11-7-16-10-18-11/h1-5,7,10,12,14,17,19H,6,8-9H2,(H,16,18)(H,20,21)/t12-,14-/m1/s1