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

Systemtic Name: dicalcium (2S)-2-azanyl-4-methyl-pentanoate Openeye Name: dicalcium (2S)-2-amino-4-methyl-pentanoate CAS Name: dicalcium (2S)-2-amino-4-methylpentanoate IUPAC Name: dicalcium (2S)-2-amino-4-methylpentanoate Traditional Name: dicalcium (2S)-2-amino-4-methyl-valerate Formula: C24H48Ca2N4O8 MolecularWeight: 600.81592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C6H13NO2.2Ca/c4*1-4(2)3-5(7)6(8)9;;/h4*4-5H,3,7H2,1-2H3,(H,8,9);;/q;;;;2*+2/p-4/t4*5-;;/m0000../s1