[4-[(3-acetamido-5-oxidanylidene-henicosanoyl)-oxidanyl-phosphanyl]-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: [4-[(3-acetamido-5-oxidanylidene-henicosanoyl)-oxidanyl-phosphanyl]-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [4-[(3-acetamido-5-oxo-henicosanoyl)-hydroxy-phosphanyl]-4-oxo-butyl]-dimethyl-ammonium CAS Name: [4-[(3-acetamido-1,5-dioxoheneicosyl)-hydroxyphosphino]-4-oxobutyl]-dimethylammonium IUPAC Name: [4-[(3-acetamido-5-oxohenicosanoyl)-hydroxyphosphanyl]-4-oxobutyl]-dimethylazanium Traditional Name: [4-[(3-acetamido-5-keto-heneicosanoyl)-hydroxy-phosphino]-4-keto-butyl]-dimethyl-ammonium Formula: C29H56N2O5P+ MolecularWeight: 543.739101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H55N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(33)23-26(30-25(2)32)24-29(35)37(36)28(34)21-19-22-31(3)4/h26,36H,5-24H2,1-4H3,(H,30,32)/p+1