3-[(2-butanoyloxy-3-propanoyloxy-propyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 3-[(2-butanoyloxy-3-propanoyloxy-propyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-[(2-butanoyloxy-3-propanoyloxy-propyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-3-[[2-(1-oxobutoxy)-3-(1-oxopropoxy)propyl]amino]propanoic acid IUPAC Name: 3-[(2-butanoyloxy-3-propanoyloxypropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[(2-butyryloxy-3-propionyloxy-propyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C16H25N3O6 MolecularWeight: 355.3862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CNC(CC(=O)O)C1=CN=CN1)COC(=O)CC

Isomeric SMILES

CCCC(=O)OC(CNC(CC(=O)O)C1=CN=CN1)COC(=O)CC

InChI

InChI=1S/C16H25N3O6/c1-3-5-16(23)25-11(9-24-15(22)4-2)7-18-12(6-14(20)21)13-8-17-10-19-13/h8,10-12,18H,3-7,9H2,1-2H3,(H,17,19)(H,20,21)