calcium (2S)-2,6-bis(hydroxymethylamino)hexanoate

Systemtic Name: calcium (2S)-2,6-bis(hydroxymethylamino)hexanoate Openeye Name: calcium (2S)-2,6-bis(hydroxymethylamino)hexanoate CAS Name: calcium (2S)-2,6-bis(hydroxymethylamino)hexanoate IUPAC Name: calcium (2S)-2,6-bis(hydroxymethylamino)hexanoate Traditional Name: calcium (2S)-2,6-bis(methylolamino)hexanoate Formula: C16H34CaN4O8 MolecularWeight: 450.54116

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Descriptors Computed from Structure

Canonical SMILES:

C(CCNCO)CC(C(=O)[O-])NCO.C(CCNCO)CC(C(=O)[O-])NCO.[Ca+2]

Isomeric SMILES

C(CCNCO)C[C@@H](C(=O)[O-])NCO.C(CCNCO)C[C@@H](C(=O)[O-])NCO.[Ca+2]

InChI

InChI=1S/2C8H18N2O4.Ca/c2*11-5-9-4-2-1-3-7(8(13)14)10-6-12;/h2*7,9-12H,1-6H2,(H,13,14);/q;;+2/p-2/t2*7-;/m00./s1