tert-butyl 1-[2-[[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-[[1-(1-adamantylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[3-(1-adamantylthio)-1-ethoxy-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[1-[(1-adamantylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C27H44N2O5S MolecularWeight: 508.71366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)NC(C)C(=O)N4CCCC4C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)NC(C)C(=O)N4CCCC4C(=O)OC(C)(C)C

InChI

InChI=1S/C27H44N2O5S/c1-6-33-24(31)21(16-35-27-13-18-10-19(14-27)12-20(11-18)15-27)28-17(2)23(30)29-9-7-8-22(29)25(32)34-26(3,4)5/h17-22,28H,6-16H2,1-5H3