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

Systemtic Name: [3-(butanoylamino)-5-oxidanylidene-icosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid Openeye Name: [3-(butanoylamino)-5-oxo-icosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid CAS Name: [3-(dimethylamino)-1-oxopropyl]-[1,5-dioxo-3-(1-oxobutylamino)eicosyl]phosphinous acid IUPAC Name: [3-(butanoylamino)-5-oxoicosanoyl]-[3-(dimethylamino)propanoyl]phosphinous acid Traditional Name: (3-butyramido-5-keto-eicosanoyl)-[3-(dimethylamino)propanoyl]phosphinous acid Formula: C29H55N2O5P MolecularWeight: 542.731161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)19-6-2)24-29(35)37(36)28(34)21-22-31(3)4/h25,36H,5-24H2,1-4H3,(H,30,33)