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

Systemtic Name: (2S)-6-azaniumyl-2-(2-benzamidoethanoylamino)hexanoate Openeye Name: (2S)-6-azaniumyl-2-[(2-benzamidoacetyl)amino]hexanoate CAS Name: (2S)-6-ammonio-2-[(2-benzamido-1-oxoethyl)amino]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[(2-benzamidoacetyl)amino]hexanoate Traditional Name: (2S)-6-ammonio-2-(hippuroylamino)hexanoate Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c16-9-5-4-8-12(15(21)22)18-13(19)10-17-14(20)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,16H2,(H,17,20)(H,18,19)(H,21,22)/t12-/m0/s1