dilithium 4-[[2-(3-oxidanylpropylphosphanylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: dilithium 4-[[2-(3-oxidanylpropylphosphanylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: dilithium 4-[[2-(3-hydroxypropylphosphanylamino)-3-thiazol-4-yl-propanoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: dilithium 4-[[2-(3-hydroxypropylphosphinoamino)-1-oxo-3-(4-thiazolyl)propyl]amino]-1H-pyrrole-2-carboxylate IUPAC Name: dilithium 4-[[2-(3-hydroxypropylphosphanylamino)-3-(1,3-thiazol-4-yl)propanoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: dilithium 4-[[2-(3-hydroxypropylphosphinoamino)-3-thiazol-4-yl-propanoyl]amino]-1H-pyrrole-2-carboxylate Formula: C28H36Li2N8O8P2S2 MolecularWeight: 752.593762

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=C(NC=C1NC(=O)C(CC2=CSC=N2)NPCCCO)C(=O)[O-].C1=C(NC=C1NC(=O)C(CC2=CSC=N2)NPCCCO)C(=O)[O-]

Isomeric SMILES

[Li+].[Li+].C1=C(NC=C1NC(=O)C(CC2=CSC=N2)NPCCCO)C(=O)[O-].C1=C(NC=C1NC(=O)C(CC2=CSC=N2)NPCCCO)C(=O)[O-]

InChI

InChI=1S/2C14H19N4O4PS.2Li/c2*19-2-1-3-23-18-11(5-10-7-24-8-16-10)13(20)17-9-4-12(14(21)22)15-6-9;;/h2*4,6-8,11,15,18-19,23H,1-3,5H2,(H,17,20)(H,21,22);;/q;;2*+1/p-2