(2S)-6-azaniumyl-2-[2-(2-phenylethanoylamino)ethanoylamino]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[2-(2-phenylethanoylamino)ethanoylamino]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoate CAS Name: (2S)-6-ammonio-2-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoate Traditional Name: (2S)-6-ammonio-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c17-9-5-4-8-13(16(22)23)19-15(21)11-18-14(20)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,17H2,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1