(3S,4R)-4-azaniumyl-1-phenylmethoxycarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: (3S,4R)-4-azaniumyl-1-phenylmethoxycarbonyl-pyrrolidine-3-carboxylate Openeye Name: (3S,4R)-4-azaniumyl-1-benzyloxycarbonyl-pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-ammonio-1-phenylmethoxycarbonyl-3-pyrrolidinecarboxylate IUPAC Name: (3S,4R)-4-azaniumyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-ammonio-1-carbobenzoxy-pyrrolidine-3-carboxylate Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C(=O)OCC2=CC=CC=C2)[NH3+])C(=O)[O-]

Isomeric SMILES

C1[C@@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c14-11-7-15(6-10(11)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,14H2,(H,16,17)/t10-,11-/m0/s1