3-azanylhexanedioic acid; 3-azanyl-6-oxidanylidene-6-[2-oxidanylidene-1-[1,2,3,4-tetrakis(oxidanyl)butyl]cyclobutyl]oxy-hexanoic acid

Systemtic Name: 3-azanylhexanedioic acid; 3-azanyl-6-oxidanylidene-6-[2-oxidanylidene-1-[1,2,3,4-tetrakis(oxidanyl)butyl]cyclobutyl]oxy-hexanoic acid Openeye Name: 3-aminohexanedioic acid; 3-amino-6-oxo-6-[2-oxo-1-(1,2,3,4-tetrahydroxybutyl)cyclobutoxy]hexanoic acid CAS Name: 3-aminohexanedioic acid; 3-amino-6-oxo-6-[2-oxo-1-(1,2,3,4-tetrahydroxybutyl)cyclobutyl]oxyhexanoic acid IUPAC Name: 3-aminohexanedioic acid; 3-amino-6-oxo-6-[2-oxo-1-(1,2,3,4-tetrahydroxybutyl)cyclobutyl]oxyhexanoic acid Traditional Name: 3-aminoadipic acid; 3-amino-6-keto-6-[2-keto-1-(1,2,3,4-tetrahydroxybutyl)cyclobutoxy]hexanoic acid Formula: C20H34N2O13 MolecularWeight: 510.48956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1=O)(C(C(C(CO)O)O)O)OC(=O)CCC(CC(=O)O)N.C(CC(=O)O)C(CC(=O)O)N

Isomeric SMILES

C1CC(C1=O)(C(C(C(CO)O)O)O)OC(=O)CCC(CC(=O)O)N.C(CC(=O)O)C(CC(=O)O)N

InChI

InChI=1S/C14H23NO9.C6H11NO4/c15-7(5-10(19)20)1-2-11(21)24-14(4-3-9(14)18)13(23)12(22)8(17)6-16;7-4(3-6(10)11)1-2-5(8)9/h7-8,12-13,16-17,22-23H,1-6,15H2,(H,19,20);4H,1-3,7H2,(H,8,9)(H,10,11)