(3-acetamido-7-ethyl-5-oxidanylidene-icosanoyl)-(3-pyrrolidin-1-ium-1-ylpropanoyl)phosphinous acid

Systemtic Name: (3-acetamido-7-ethyl-5-oxidanylidene-icosanoyl)-(3-pyrrolidin-1-ium-1-ylpropanoyl)phosphinous acid Openeye Name: (3-acetamido-7-ethyl-5-oxo-icosanoyl)-(3-pyrrolidin-1-ium-1-ylpropanoyl)phosphinous acid CAS Name: (3-acetamido-7-ethyl-1,5-dioxoeicosyl)-[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]phosphinous acid IUPAC Name: (3-acetamido-7-ethyl-5-oxoicosanoyl)-(3-pyrrolidin-1-ium-1-ylpropanoyl)phosphinous acid Traditional Name: (3-acetamido-7-ethyl-5-keto-eicosanoyl)-(3-pyrrolidin-1-ium-1-ylpropanoyl)phosphinous acid Formula: C31H58N2O5P+ MolecularWeight: 569.776381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)CC(=O)CC(CC(=O)P(C(=O)CC[NH+]1CCCC1)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC(CC)CC(=O)CC(CC(=O)P(C(=O)CC[NH+]1CCCC1)O)NC(=O)C

InChI

InChI=1S/C31H57N2O5P/c1-4-6-7-8-9-10-11-12-13-14-15-18-27(5-2)23-29(35)24-28(32-26(3)34)25-31(37)39(38)30(36)19-22-33-20-16-17-21-33/h27-28,38H,4-25H2,1-3H3,(H,32,34)/p+1