trisodium (2S)-2-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]pentanedioate

Systemtic Name: trisodium (2S)-2-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]pentanedioate Openeye Name: trisodium (2S)-2-[[1-[(2-oxido-2-oxo-ethyl)carbamoyl]cyclohexyl]amino]pentanedioate CAS Name: trisodium (2S)-2-[[1-[[(2-oxido-2-oxoethyl)amino]-oxomethyl]cyclohexyl]amino]pentanedioate IUPAC Name: trisodium (2S)-2-[[1-[(2-oxido-2-oxoethyl)carbamoyl]cyclohexyl]amino]pentanedioate Traditional Name: trisodium (2S)-2-[[1-[(2-keto-2-oxido-ethyl)carbamoyl]cyclohexyl]amino]glutarate Formula: C14H19N2Na3O7 MolecularWeight: 396.27917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC(=O)[O-])NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC(=O)[O-])N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H22N2O7.3Na/c17-10(18)5-4-9(12(21)22)16-14(6-2-1-3-7-14)13(23)15-8-11(19)20;;;/h9,16H,1-8H2,(H,15,23)(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3/t9-;;;/m0.../s1