(2S)-1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylate Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)[NH3+])C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)[NH3+])C(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1