(3-acetamido-5-oxidanylidene-icosanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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