(3-acetamido-5-oxidanylidene-henicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid

Systemtic Name: (3-acetamido-5-oxidanylidene-henicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid Openeye Name: (3-acetamido-5-oxo-henicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid CAS Name: (3-acetamido-1,5-dioxoheneicosyl)-[1-oxo-4-(1-pyrrolidin-1-iumyl)butyl]phosphinous acid IUPAC Name: (3-acetamido-5-oxohenicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid Traditional Name: (3-acetamido-5-keto-heneicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid Formula: C31H58N2O5P+ MolecularWeight: 569.776381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57N2O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29(35)25-28(32-27(2)34)26-31(37)39(38)30(36)21-19-24-33-22-17-18-23-33/h28,38H,3-26H2,1-2H3,(H,32,34)/p+1