dilithium 3-[4-(2-oxidanidyl-2-oxidanylidene-ethyl)-5-[(2-phenylethanoylamino)methyl]-1H-pyrrol-3-yl]propanoate

Systemtic Name: dilithium 3-[4-(2-oxidanidyl-2-oxidanylidene-ethyl)-5-[(2-phenylethanoylamino)methyl]-1H-pyrrol-3-yl]propanoate Openeye Name: dilithium 3-[4-(2-oxido-2-oxo-ethyl)-5-[[(2-phenylacetyl)amino]methyl]-1H-pyrrol-3-yl]propanoate CAS Name: dilithium 3-[4-(2-oxido-2-oxoethyl)-5-[[(1-oxo-2-phenylethyl)amino]methyl]-1H-pyrrol-3-yl]propanoate IUPAC Name: dilithium 3-[4-(2-oxido-2-oxoethyl)-5-[[(2-phenylacetyl)amino]methyl]-1H-pyrrol-3-yl]propanoate Traditional Name: dilithium 3-[4-(2-keto-2-oxido-ethyl)-5-[[(2-phenylacetyl)amino]methyl]-1H-pyrrol-3-yl]propionate Formula: C18H18Li2N2O5 MolecularWeight: 356.22792

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=CC=C(C=C1)CC(=O)NCC2=C(C(=CN2)CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

[Li+].[Li+].C1=CC=C(C=C1)CC(=O)NCC2=C(C(=CN2)CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C18H20N2O5.2Li/c21-16(8-12-4-2-1-3-5-12)20-11-15-14(9-18(24)25)13(10-19-15)6-7-17(22)23;;/h1-5,10,19H,6-9,11H2,(H,20,21)(H,22,23)(H,24,25);;/q;2*+1/p-2