[3-(butanoylamino)-7-ethyl-5-oxidanylidene-icosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid

Systemtic Name: [3-(butanoylamino)-7-ethyl-5-oxidanylidene-icosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid Openeye Name: [3-(butanoylamino)-7-ethyl-5-oxo-icosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid CAS Name: [3-(dimethylamino)-1-oxopropyl]-[7-ethyl-1,5-dioxo-3-(1-oxobutylamino)eicosyl]phosphinous acid IUPAC Name: [3-(butanoylamino)-7-ethyl-5-oxoicosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid Traditional Name: (3-butyramido-7-ethyl-5-keto-eicosanoyl)-[3-(dimethylamino)propanoyl]phosphinous acid Formula: C31H59N2O5P MolecularWeight: 570.784321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)CC(=O)CC(CC(=O)P(C(=O)CCN(C)C)O)NC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCC(CC)CC(=O)CC(CC(=O)P(C(=O)CCN(C)C)O)NC(=O)CCC

InChI

InChI=1S/C31H59N2O5P/c1-6-9-10-11-12-13-14-15-16-17-18-20-26(8-3)23-28(34)24-27(32-29(35)19-7-2)25-31(37)39(38)30(36)21-22-33(4)5/h26-27,38H,6-25H2,1-5H3,(H,32,35)