4-(dimethylamino)butanoyl-[5-oxidanylidene-3-(propanoylamino)icosanoyl]phosphinous acid

Systemtic Name: 4-(dimethylamino)butanoyl-[5-oxidanylidene-3-(propanoylamino)icosanoyl]phosphinous acid Openeye Name: 4-(dimethylamino)butanoyl-[5-oxo-3-(propanoylamino)icosanoyl]phosphinous acid CAS Name: [4-(dimethylamino)-1-oxobutyl]-[1,5-dioxo-3-(1-oxopropylamino)eicosyl]phosphinous acid IUPAC Name: 4-(dimethylamino)butanoyl-[5-oxo-3-(propanoylamino)icosanoyl]phosphinous acid Traditional Name: 4-(dimethylamino)butanoyl-(5-keto-3-propionamido-eicosanoyl)phosphinous acid Formula: C29H55N2O5P MolecularWeight: 542.731161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCN(C)C)O)NC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCN(C)C)O)NC(=O)CC

InChI

InChI=1S/C29H55N2O5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-26(32)23-25(30-27(33)6-2)24-29(35)37(36)28(34)21-19-22-31(3)4/h25,36H,5-24H2,1-4H3,(H,30,33)