(2S)-6-azaniumyl-2-benzamido-hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-benzamido-hexanoate Openeye Name: (2S)-6-azaniumyl-2-benzamido-hexanoate CAS Name: (2S)-6-ammonio-2-benzamidohexanoate IUPAC Name: (2S)-6-azaniumyl-2-benzamidohexanoate Traditional Name: (2S)-6-ammonio-2-benzamido-hexanoate Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCC[NH3+])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c14-9-5-4-8-11(13(17)18)15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1