2-[4-[1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-1,4-diazepan-1-yl]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[4-[1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-1,4-diazepan-1-yl]-4-oxidanyl-butanoic acid Openeye Name: 2-[4-(1-carboxy-3-hydroxy-propyl)-1,4-diazepan-1-yl]-4-hydroxy-butanoic acid CAS Name: 2-[4-(1,4-dihydroxy-1-oxobutan-2-yl)-1,4-diazepan-1-yl]-4-hydroxybutanoic acid IUPAC Name: 2-[4-(1,4-dihydroxy-1-oxobutan-2-yl)-1,4-diazepan-1-yl]-4-hydroxybutanoic acid Traditional Name: 2-[4-(1-carboxy-3-hydroxy-propyl)-1,4-diazepan-1-yl]-4-hydroxy-butyric acid Formula: C13H24N2O6 MolecularWeight: 304.33946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(CCO)C(=O)O)C(CCO)C(=O)O

Isomeric SMILES

C1CN(CCN(C1)C(CCO)C(=O)O)C(CCO)C(=O)O

InChI

InChI=1S/C13H24N2O6/c16-8-2-10(12(18)19)14-4-1-5-15(7-6-14)11(3-9-17)13(20)21/h10-11,16-17H,1-9H2,(H,18,19)(H,20,21)