4-[4-[butanoyl(2-methylbutan-2-yl)amino]butanoyl-(2-methylbut-3-yn-2-yl)amino]butanoic acid

Systemtic Name: 4-[4-[butanoyl(2-methylbutan-2-yl)amino]butanoyl-(2-methylbut-3-yn-2-yl)amino]butanoic acid Openeye Name: 4-[4-[butanoyl(1,1-dimethylpropyl)amino]butanoyl-(1,1-dimethylprop-2-ynyl)amino]butanoic acid CAS Name: 4-[[4-[2-methylbutan-2-yl(1-oxobutyl)amino]-1-oxobutyl]-(2-methylbut-3-yn-2-yl)amino]butanoic acid IUPAC Name: 4-[4-[butanoyl(2-methylbutan-2-yl)amino]butanoyl-(2-methylbut-3-yn-2-yl)amino]butanoic acid Traditional Name: 4-[4-[tert-amyl(butyryl)amino]butanoyl-(1,1-dimethylprop-2-ynyl)amino]butyric acid Formula: C22H38N2O4 MolecularWeight: 394.54812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCCC(=O)N(CCCC(=O)O)C(C)(C)C#C)C(C)(C)CC

Isomeric SMILES

CCCC(=O)N(CCCC(=O)N(CCCC(=O)O)C(C)(C)C#C)C(C)(C)CC

InChI

InChI=1S/C22H38N2O4/c1-8-13-18(25)23(21(4,5)9-2)16-11-14-19(26)24(22(6,7)10-3)17-12-15-20(27)28/h3H,8-9,11-17H2,1-2,4-7H3,(H,27,28)