(3S)-3-azaniumyl-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]propanoate Openeye Name: (3S)-3-[4-(2-amino-2-oxo-ethoxy)phenyl]-3-azaniumyl-propanoate CAS Name: (3S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-3-ammoniopropanoate IUPAC Name: (3S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-3-azaniumylpropanoate Traditional Name: (3S)-3-[4-(2-amino-2-keto-ethoxy)phenyl]-3-ammonio-propionate Formula: C11H14N2O4 MolecularWeight: 238.23986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)[O-])[NH3+])OCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1[C@H](CC(=O)[O-])[NH3+])OCC(=O)N

InChI

InChI=1S/C11H14N2O4/c12-9(5-11(15)16)7-1-3-8(4-2-7)17-6-10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)(H,15,16)/t9-/m0/s1