calcium (2S)-6-azanyl-2-(hydroxymethylamino)hexanoate

Systemtic Name: calcium (2S)-6-azanyl-2-(hydroxymethylamino)hexanoate Openeye Name: calcium (2S)-6-amino-2-(hydroxymethylamino)hexanoate CAS Name: calcium (2S)-6-amino-2-(hydroxymethylamino)hexanoate IUPAC Name: calcium (2S)-6-amino-2-(hydroxymethylamino)hexanoate Traditional Name: calcium (2S)-6-amino-2-(methylolamino)hexanoate Formula: C14H30CaN4O6 MolecularWeight: 390.4892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H16N2O3.Ca/c2*8-4-2-1-3-6(7(11)12)9-5-10;/h2*6,9-10H,1-5,8H2,(H,11,12);/q;;+2/p-2/t2*6-;/m00./s1