calcium (2S)-2-azanyl-4-methyl-pentanoate

Systemtic Name: calcium (2S)-2-azanyl-4-methyl-pentanoate Openeye Name: calcium (2S)-2-amino-4-methyl-pentanoate CAS Name: calcium (2S)-2-amino-4-methylpentanoate IUPAC Name: calcium (2S)-2-amino-4-methylpentanoate Traditional Name: calcium (2S)-2-amino-4-methyl-valerate Formula: C12H24CaN2O4 MolecularWeight: 300.40796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H13NO2.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4-5H,3,7H2,1-2H3,(H,8,9);/q;;+2/p-2/t2*5-;/m00./s1