(3-acetamido-5-oxidanylidene-icosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid

Systemtic Name: (3-acetamido-5-oxidanylidene-icosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid Openeye Name: (3-acetamido-5-oxo-icosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid CAS Name: (3-acetamido-1,5-dioxoeicosyl)-[1-oxo-4-(1-pyrrolidin-1-iumyl)butyl]phosphinous acid IUPAC Name: (3-acetamido-5-oxoicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid Traditional Name: (3-acetamido-5-keto-eicosanoyl)-(4-pyrrolidin-1-ium-1-ylbutanoyl)phosphinous acid Formula: C30H56N2O5P+ MolecularWeight: 555.749801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCC[NH+]1CCCC1)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(CC(=O)P(C(=O)CCC[NH+]1CCCC1)O)NC(=O)C

InChI

InChI=1S/C30H55N2O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28(34)24-27(31-26(2)33)25-30(36)38(37)29(35)20-18-23-32-21-16-17-22-32/h27,37H,3-25H2,1-2H3,(H,31,33)/p+1