2-[[4-(2-butanoyloxy-3-pentanoyloxy-propoxy)-4-oxidanylidene-butanoyl]amino]-3-(4H-imidazol-4-yl)propanoic acid

Systemtic Name: 2-[[4-(2-butanoyloxy-3-pentanoyloxy-propoxy)-4-oxidanylidene-butanoyl]amino]-3-(4H-imidazol-4-yl)propanoic acid Openeye Name: 2-[[4-(2-butanoyloxy-3-pentanoyloxy-propoxy)-4-oxo-butanoyl]amino]-3-(4H-imidazol-4-yl)propanoic acid CAS Name: 2-[[1,4-dioxo-4-[2-(1-oxobutoxy)-3-(1-oxopentoxy)propoxy]butyl]amino]-3-(4H-imidazol-4-yl)propanoic acid IUPAC Name: 2-[[4-(2-butanoyloxy-3-pentanoyloxypropoxy)-4-oxobutanoyl]amino]-3-(4H-imidazol-4-yl)propanoic acid Traditional Name: 2-[[4-(2-butyryloxy-3-valeryloxy-propoxy)-4-keto-butanoyl]amino]-3-(4H-imidazol-4-yl)propionic acid Formula: C22H33N3O9 MolecularWeight: 483.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(COC(=O)CCC(=O)NC(CC1C=NC=N1)C(=O)O)OC(=O)CCC

Isomeric SMILES

CCCCC(=O)OCC(COC(=O)CCC(=O)NC(CC1C=NC=N1)C(=O)O)OC(=O)CCC

InChI

InChI=1S/C22H33N3O9/c1-3-5-7-19(27)32-12-16(34-21(29)6-4-2)13-33-20(28)9-8-18(26)25-17(22(30)31)10-15-11-23-14-24-15/h11,14-17H,3-10,12-13H2,1-2H3,(H,25,26)(H,30,31)