calcium (3S)-3-(aminocarbonylamino)-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: calcium (3S)-3-(aminocarbonylamino)-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: calcium (3S)-4-hydroxy-4-oxo-3-ureido-butanoate CAS Name: calcium (3S)-3-(carbamoylamino)-4-hydroxy-4-oxobutanoate IUPAC Name: calcium (3S)-3-(carbamoylamino)-4-hydroxy-4-oxobutanoate Traditional Name: calcium (3S)-4-hydroxy-4-keto-3-ureido-butyrate Formula: C10H14CaN4O10 MolecularWeight: 390.31696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H8N2O5.Ca/c2*6-5(12)7-2(4(10)11)1-3(8)9;/h2*2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;;+2/p-2/t2*2-;/m00./s1