calcium; (2S)-2-azanylbutanedioic acid; (2S)-2-azanyl-3-oxidanyl-propanoic acid

Systemtic Name: calcium; (2S)-2-azanylbutanedioic acid; (2S)-2-azanyl-3-oxidanyl-propanoic acid Openeye Name: calcium; (2S)-2-aminobutanedioic acid; (2S)-2-amino-3-hydroxy-propanoic acid CAS Name: calcium; (2S)-2-aminobutanedioic acid; (2S)-2-amino-3-hydroxypropanoic acid IUPAC Name: calcium; (2S)-2-aminobutanedioic acid; (2S)-2-amino-3-hydroxypropanoic acid Traditional Name: calcium; (2S)-2-amino-3-hydroxy-propionic acid; (2S)-2-aminosuccinic acid Formula: C14H28CaN4O14+2 MolecularWeight: 516.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C4H7NO4.2C3H7NO3.Ca/c2*5-2(4(8)9)1-3(6)7;2*4-2(1-5)3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);2*2,5H,1,4H2,(H,6,7);/q;;;;+2/t4*2-;/m0000./s1