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calcium (2S)-2-azanyl-4-methyl-pentanedioate phosphate

calcium (2S)-2-azanyl-4-methyl-pentanedioate phosphate

Systemtic Name:calcium (2S)-2-azanyl-4-methyl-pentanedioate phosphate
Openeye Name:calcium (2S)-2-amino-4-methyl-pentanedioate phosphate
CAS Name:calcium (2S)-2-amino-4-methylpentanedioate phosphate
IUPAC Name:calcium (2S)-2-amino-4-methylpentanedioate phosphate
Traditional Name:calcium (2S)-2-amino-4-methyl-glutarate phosphate
Formula: C6H9CaNO8P-3
MolecularWeight: 294.189321
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C6H11NO4.Ca.H3O4P/c1-3(5(8)9)2-4(7)6(10)11;;1-5(2,3)4/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11);;(H3,1,2,3,4)/q;+2;/p-5/t3?,4-;;/m0../s1


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