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

Systemtic Name: tert-butyl 2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-(2-methyl-3-propanoylsulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[2-methyl-1-oxo-3-(1-oxopropylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(2-methyl-3-propanoylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[2-methyl-3-(propionylthio)propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N2O5S/c1-6-21(28)33-16-17(2)23(30)27-14-10-13-20(27)22(29)26-19(24(31)32-25(3,4)5)15-18-11-8-7-9-12-18/h7-9,11-12,17,19-20H,6,10,13-16H2,1-5H3,(H,26,29)