2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[3-[(2,2-dimethyl-1-oxopropyl)thio]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[2-methyl-3-(pivaloylthio)propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CSC(=O)C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H32N2O5S/c1-15(14-31-22(30)23(2,3)4)20(27)25-12-8-11-18(25)19(26)24-17(21(28)29)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,24,26)(H,28,29)