calcium 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: calcium 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: calcium 3-amino-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: calcium 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: calcium 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: calcium 3-amino-4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-butyric acid Formula: C14H18CaN2O5+2 MolecularWeight: 334.38112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.[Ca+2]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.[Ca+2]

InChI

InChI=1S/C14H18N2O5.Ca/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);/q;+2