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

Systemtic Name: (3-acetamido-5-oxidanylidene-octadecanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid Openeye Name: (3-acetamido-5-oxo-octadecanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid CAS Name: (3-acetamido-1,5-dioxooctadecyl)-[1-oxo-5-(1-pyrrolidin-1-iumyl)pentyl]phosphinous acid IUPAC Name: (3-acetamido-5-oxooctadecanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid Traditional Name: (3-acetamido-5-keto-octadecanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid Formula: C29H54N2O5P+ MolecularWeight: 541.723221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53N2O5P/c1-3-4-5-6-7-8-9-10-11-12-13-18-27(33)23-26(30-25(2)32)24-29(35)37(36)28(34)19-14-15-20-31-21-16-17-22-31/h26,36H,3-24H2,1-2H3,(H,30,32)/p+1