dilithium 5-azanyl-3-(1-benzamidopentyl)-2-phosphooxy-1-propanoyl-pyrrolidine-2-carboxylate

Systemtic Name: dilithium 5-azanyl-3-(1-benzamidopentyl)-2-phosphooxy-1-propanoyl-pyrrolidine-2-carboxylate Openeye Name: dilithium 5-amino-3-(1-benzamidopentyl)-2-phosphooxy-1-propanoyl-pyrrolidine-2-carboxylate CAS Name: dilithium 5-amino-3-(1-benzamidopentyl)-1-(1-oxopropyl)-2-phosphooxy-2-pyrrolidinecarboxylate IUPAC Name: dilithium 5-amino-3-(1-benzamidopentyl)-2-phosphooxy-1-propanoylpyrrolidine-2-carboxylate Traditional Name: dilithium 5-amino-3-(1-benzamidopentyl)-2-phosphooxy-1-propionyl-pyrrolidine-2-carboxylate Formula: C20H27Li2N3O7P+ MolecularWeight: 466.300041

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CCCCC(C1CC(N(C1(C(=O)[O-])O[P+](=O)[O-])C(=O)CC)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

[Li+].[Li+].CCCCC(C1CC(N(C1(C(=O)[O-])O[P+](=O)[O-])C(=O)CC)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N3O7P.2Li/c1-3-5-11-15(22-18(25)13-9-7-6-8-10-13)14-12-16(21)23(17(24)4-2)20(14,19(26)27)30-31(28)29;;/h6-10,14-16H,3-5,11-12,21H2,1-2H3,(H,22,25)(H,26,27);;/q;2*+1/p-1