tert-butyl N-[1-[[1-[(1-cyano-3-methylsulfanyl-propyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-[(1-cyano-3-methylsulfanyl-propyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[1-[(1-cyano-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[1-[[1-cyano-3-(methylthio)propyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[1-[[1-cyano-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C22H40N4O4S MolecularWeight: 456.6424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C#N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C#N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H40N4O4S/c1-14(2)11-17(19(27)24-16(13-23)9-10-31-8)25-20(28)18(12-15(3)4)26-21(29)30-22(5,6)7/h14-18H,9-12H2,1-8H3,(H,24,27)(H,25,28)(H,26,29)