tert-butyl 2-[[2-(1-adamantyl)ethyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-(1-adamantyl)ethyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-acetylsulfanylethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]acetate CAS Name: 2-[[[2-(acetylthio)ethyl-[2-(1-adamantyl)ethyl]amino]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-acetylsulfanylethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]acetate Traditional Name: 2-[[2-(acetylthio)ethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]acetic acid tert-butyl ester Formula: C23H38N2O4S MolecularWeight: 438.62382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(=O)OC(C)(C)C

InChI

InChI=1S/C23H38N2O4S/c1-16(26)30-8-7-25(21(28)24-15-20(27)29-22(2,3)4)6-5-23-12-17-9-18(13-23)11-19(10-17)14-23/h17-19H,5-15H2,1-4H3,(H,24,28)