2,5-bis(azanyl)pentanoic acid; 2-oxidanylbutanedioic acid; dihydrate

Systemtic Name: 2,5-bis(azanyl)pentanoic acid; 2-oxidanylbutanedioic acid; dihydrate Openeye Name: 2,5-diaminopentanoic acid; 2-hydroxybutanedioic acid; dihydrate CAS Name: 2,5-diaminopentanoic acid; 2-hydroxybutanedioic acid; dihydrate IUPAC Name: 2,5-diaminopentanoic acid; 2-hydroxybutanedioic acid; dihydrate Traditional Name: 2,5-diaminovaleric acid; malic acid; dihydrate Formula: C9H22N2O9 MolecularWeight: 302.27898

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CN.C(C(C(=O)O)O)C(=O)O.O.O

Isomeric SMILES

C(CC(C(=O)O)N)CN.C(C(C(=O)O)O)C(=O)O.O.O

InChI

InChI=1S/C5H12N2O2.C4H6O5.2H2O/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7;;/h4H,1-3,6-7H2,(H,8,9);2,5H,1H2,(H,6,7)(H,8,9);2*1H2