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

Systemtic Name: tert-butyl 2-[[1-[2-methyl-3-(phenylsulfanylcarbamoylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-[2-methyl-3-(phenylsulfanylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[2-methyl-1-oxo-3-[[oxo-[(phenylthio)amino]methyl]thio]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[2-methyl-3-(phenylsulfanylcarbamoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[2-methyl-3-[(phenylthio)carbamoylthio]propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C29H37N3O5S2 MolecularWeight: 571.75118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)NSC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CSC(=O)NSC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H37N3O5S2/c1-20(19-38-28(36)31-39-22-14-9-6-10-15-22)26(34)32-17-11-16-24(32)25(33)30-23(27(35)37-29(2,3)4)18-21-12-7-5-8-13-21/h5-10,12-15,20,23-24H,11,16-19H2,1-4H3,(H,30,33)(H,31,36)