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calcium (2S)-2-azanylpentanedioic acid tetrahydrate

calcium (2S)-2-azanylpentanedioic acid tetrahydrate

Systemtic Name:calcium (2S)-2-azanylpentanedioic acid tetrahydrate
Openeye Name:calcium (2S)-2-aminopentanedioic acid tetrahydrate
CAS Name:calcium (2S)-2-aminopentanedioic acid tetrahydrate
IUPAC Name:calcium (2S)-2-aminopentanedioic acid tetrahydrate
Traditional Name:calcium (2S)-2-aminoglutaric acid tetrahydrate
Formula: C10H26CaN2O12+2
MolecularWeight: 406.39764
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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N.O.O.O.O.[Ca+2]


Isomeric SMILES

C(CC(=O)O)[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N.O.O.O.O.[Ca+2]


InChI

InChI=1S/2C5H9NO4.Ca.4H2O/c2*6-3(5(9)10)1-2-4(7)8;;;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;;+2;;;;/t2*3-;;;;;/m00...../s1


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