dilithium 4-[[2-[[oxidanylidene(3-oxidanylpropyl)phosphaniumyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: dilithium 4-[[2-[[oxidanylidene(3-oxidanylpropyl)phosphaniumyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: dilithium 4-[[2-[[3-hydroxypropyl(oxo)phosphaniumyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: dilithium 4-[[2-[[3-hydroxypropyl(oxo)phosphiniumyl]amino]-1-oxo-3-phenylpropyl]amino]-1H-pyrrole-2-carboxylate IUPAC Name: dilithium 4-[[2-[[3-hydroxypropyl(oxo)phosphaniumyl]amino]-3-phenylpropanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: dilithium 4-[[2-[[3-hydroxypropyl(keto)phosphiniumyl]amino]-3-phenyl-propanoyl]amino]-1H-pyrrole-2-carboxylate Formula: C34H40Li2N6O10P2+2 MolecularWeight: 768.545122

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=CC=C(C=C1)CC(C(=O)NC2=CNC(=C2)C(=O)[O-])N[P+](=O)CCCO.C1=CC=C(C=C1)CC(C(=O)NC2=CNC(=C2)C(=O)[O-])N[P+](=O)CCCO

Isomeric SMILES

[Li+].[Li+].C1=CC=C(C=C1)CC(C(=O)NC2=CNC(=C2)C(=O)[O-])N[P+](=O)CCCO.C1=CC=C(C=C1)CC(C(=O)NC2=CNC(=C2)C(=O)[O-])N[P+](=O)CCCO

InChI

InChI=1S/2C17H20N3O5P.2Li/c2*21-7-4-8-26(25)20-14(9-12-5-2-1-3-6-12)16(22)19-13-10-15(17(23)24)18-11-13;;/h2*1-3,5-6,10-11,14,18,21H,4,7-9H2,(H2-,19,20,22,23,24,25);;/q;;2*+1