(2R)-4-azanyl-4-oxidanylidene-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-azanyl-4-oxidanylidene-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]butanoate Openeye Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-3-phenoxypropyl]ammonio]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-4-keto-butyrate Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH2+]C(CC(=O)N)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@@H](C[NH2+][C@H](CC(=O)N)C(=O)[O-])O

InChI

InChI=1S/C13H18N2O5/c14-12(17)6-11(13(18)19)15-7-9(16)8-20-10-4-2-1-3-5-10/h1-5,9,11,15-16H,6-8H2,(H2,14,17)(H,18,19)/t9-,11-/m1/s1