tert-butyl 1-[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[1-[2-[[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-[2-[[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[1-[2-[(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[1-[2-[[2-ethoxy-1-[(heptylthio)methyl]-2-keto-ethyl]amino]propanoyl]prolyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H51N3O6S MolecularWeight: 569.79674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C29H51N3O6S/c1-7-9-10-11-12-19-39-20-22(27(35)37-8-2)30-21(3)25(33)31-17-13-15-23(31)26(34)32-18-14-16-24(32)28(36)38-29(4,5)6/h21-24,30H,7-20H2,1-6H3