[3-(butanoylamino)-5-oxidanylidene-henicosanoyl]-[4-(dimethylamino)butanoyl]phosphinous acid

Systemtic Name: [3-(butanoylamino)-5-oxidanylidene-henicosanoyl]-[4-(dimethylamino)butanoyl]phosphinous acid Openeye Name: [3-(butanoylamino)-5-oxo-henicosanoyl]-[4-(dimethylamino)butanoyl]phosphinous acid CAS Name: [4-(dimethylamino)-1-oxobutyl]-[1,5-dioxo-3-(1-oxobutylamino)heneicosyl]phosphinous acid IUPAC Name: [3-(butanoylamino)-5-oxohenicosanoyl]-[4-(dimethylamino)butanoyl]phosphinous acid Traditional Name: (3-butyramido-5-keto-heneicosanoyl)-[4-(dimethylamino)butanoyl]phosphinous acid Formula: C31H59N2O5P MolecularWeight: 570.784321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCN(C)C)O)NC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCCN(C)C)O)NC(=O)CCC

InChI

InChI=1S/C31H59N2O5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28(34)25-27(32-29(35)21-6-2)26-31(37)39(38)30(36)23-20-24-33(3)4/h27,38H,5-26H2,1-4H3,(H,32,35)