2-(2-azanylbutanoylamino)butanedioic acid hydrate

Systemtic Name: 2-(2-azanylbutanoylamino)butanedioic acid hydrate Openeye Name: 2-(2-aminobutanoylamino)butanedioic acid hydrate CAS Name: 2-[(2-amino-1-oxobutyl)amino]butanedioic acid hydrate IUPAC Name: 2-(2-aminobutanoylamino)butanedioic acid hydrate Traditional Name: 2-(2-aminobutanoylamino)succinic acid hydrate Formula: C8H16N2O6 MolecularWeight: 236.22244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)O)C(=O)O)N.O

Isomeric SMILES

CCC(C(=O)NC(CC(=O)O)C(=O)O)N.O

InChI

InChI=1S/C8H14N2O5.H2O/c1-2-4(9)7(13)10-5(8(14)15)3-6(11)12;/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15);1H2