tert-butyl 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[3-[(2,2-dimethyl-1-oxopropyl)thio]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[2-methyl-3-(pivaloylthio)propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C27H40N2O5S MolecularWeight: 504.6819

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O5S/c1-18(17-35-25(33)26(2,3)4)23(31)29-15-11-14-21(29)22(30)28-20(24(32)34-27(5,6)7)16-19-12-9-8-10-13-19/h8-10,12-13,18,20-21H,11,14-17H2,1-7H3,(H,28,30)