(2S,5R)-2-azaniumyl-6-[[(2R,5R)-5-azaniumyl-6-oxidanidyl-2-oxidanyl-6-oxidanylidene-hexyl]azaniumyl]-5-oxidanyl-hexanoate

Systemtic Name: (2S,5R)-2-azaniumyl-6-[[(2R,5R)-5-azaniumyl-6-oxidanidyl-2-oxidanyl-6-oxidanylidene-hexyl]azaniumyl]-5-oxidanyl-hexanoate Openeye Name: (2S,5R)-2-azaniumyl-6-[[(2R,5R)-5-azaniumyl-2-hydroxy-6-oxido-6-oxo-hexyl]ammonio]-5-hydroxy-hexanoate CAS Name: (2S,5R)-2-ammonio-6-[[(2R,5R)-5-ammonio-2-hydroxy-6-oxido-6-oxohexyl]ammonio]-5-hydroxyhexanoate IUPAC Name: (2S,5R)-2-azaniumyl-6-[[(2R,5R)-5-azaniumyl-2-hydroxy-6-oxido-6-oxohexyl]azaniumyl]-5-hydroxyhexanoate Traditional Name: (2S,5R)-2-ammonio-6-[[(2R,5R)-5-ammonio-2-hydroxy-6-keto-6-oxido-hexyl]ammonio]-5-hydroxy-hexanoate Formula: C12H26N3O6+ MolecularWeight: 308.35134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O6/c13-9(11(18)19)3-1-7(16)5-15-6-8(17)2-4-10(14)12(20)21/h7-10,15-17H,1-6,13-14H2,(H,18,19)(H,20,21)/p+1/t7-,8-,9-,10+/m1/s1