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

Systemtic Name: (3-acetamido-5-oxidanylidene-henicosanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid Openeye Name: (3-acetamido-5-oxo-henicosanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid CAS Name: (3-acetamido-1,5-dioxoheneicosyl)-[1-oxo-5-(1-pyrrolidin-1-iumyl)pentyl]phosphinous acid IUPAC Name: (3-acetamido-5-oxohenicosanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid Traditional Name: (3-acetamido-5-keto-heneicosanoyl)-(5-pyrrolidin-1-ium-1-ylpentanoyl)phosphinous acid Formula: C32H60N2O5P+ MolecularWeight: 583.802961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H59N2O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(36)26-29(33-28(2)35)27-32(38)40(39)31(37)22-17-18-23-34-24-19-20-25-34/h29,39H,3-27H2,1-2H3,(H,33,35)/p+1