(2S)-6-azaniumyl-2-[[(2S)-1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]hexanoate

Systemtic Name: (2S)-6-azaniumyl-2-[[(2S)-1-oxidanidyl-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]hexanoate Openeye Name: (2S)-6-azaniumyl-2-[[(1S)-1-carboxylato-3-phenyl-propyl]ammonio]hexanoate CAS Name: (2S)-6-ammonio-2-[[(2S)-1-oxido-1-oxo-4-phenylbutan-2-yl]ammonio]hexanoate IUPAC Name: (2S)-6-azaniumyl-2-[[(2S)-1-oxido-1-oxo-4-phenylbutan-2-yl]azaniumyl]hexanoate Traditional Name: (2S)-6-ammonio-2-[[(1S)-1-carboxylato-3-phenyl-propyl]ammonio]hexanoate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)[O-])[NH2+]C(CCCC[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)[O-])[NH2+][C@@H](CCCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C16H24N2O4/c17-11-5-4-8-13(15(19)20)18-14(16(21)22)10-9-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11,17H2,(H,19,20)(H,21,22)/t13-,14-/m0/s1