2-[[1-[1-(2,2-dimethylpropanoyloxy)ethoxy]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-[[1-[1-(2,2-dimethylpropanoyloxy)ethoxy]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-[[1-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonyl]-3-methyl-butyl]amino]-3-(2-phenylthiazol-4-yl)propanoic acid CAS Name: 2-[[1-[1-(2,2-dimethyl-1-oxopropoxy)ethoxy]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-phenyl-4-thiazolyl)propanoic acid IUPAC Name: 2-[[1-[1-(2,2-dimethylpropanoyloxy)ethoxy]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-[[3-methyl-1-(1-pivaloyloxyethoxycarbonyl)butyl]amino]-3-(2-phenylthiazol-4-yl)propionic acid Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)OC(=O)C(C)(C)C)NC(CC1=CSC(=N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)OC(C)OC(=O)C(C)(C)C)NC(CC1=CSC(=N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H34N2O6S/c1-15(2)12-20(23(30)32-16(3)33-24(31)25(4,5)6)27-19(22(28)29)13-18-14-34-21(26-18)17-10-8-7-9-11-17/h7-11,14-16,19-20,27H,12-13H2,1-6H3,(H,28,29)