(2S)-6-(6-azaniumylhexanoylamino)-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]hexanoate

Systemtic Name: (2S)-6-(6-azaniumylhexanoylamino)-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]hexanoate Openeye Name: (2S)-6-(6-azaniumylhexanoylamino)-2-[bis(2-oxido-2-oxo-ethyl)ammonio]hexanoate CAS Name: (2S)-6-[(6-ammonio-1-oxohexyl)amino]-2-[bis(2-oxido-2-oxoethyl)ammonio]hexanoate IUPAC Name: (2S)-6-(6-azaniumylhexanoylamino)-2-[bis(2-oxido-2-oxoethyl)azaniumyl]hexanoate Traditional Name: (2S)-6-(6-ammoniohexanoylamino)-2-[bis(2-keto-2-oxido-ethyl)ammonio]hexanoate Formula: C16H28N3O7- MolecularWeight: 374.40942

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)NCCCCC(C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-])CC[NH3+]

Isomeric SMILES

C(CCC(=O)NCCCC[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-])CC[NH3+]

InChI

InChI=1S/C16H29N3O7/c17-8-4-1-2-7-13(20)18-9-5-3-6-12(16(25)26)19(10-14(21)22)11-15(23)24/h12H,1-11,17H2,(H,18,20)(H,21,22)(H,23,24)(H,25,26)/p-1/t12-/m0/s1