tert-butyl 5-methyl-2-[(4-methyl-2-methylsulfonyl-pentanoyl)-(2-methylpropylamino)amino]hexanoate

Systemtic Name: tert-butyl 5-methyl-2-[(4-methyl-2-methylsulfonyl-pentanoyl)-(2-methylpropylamino)amino]hexanoate Openeye Name: tert-butyl 2-[(isobutylamino)-(4-methyl-2-methylsulfonyl-pentanoyl)amino]-5-methyl-hexanoate CAS Name: 5-methyl-2-[(4-methyl-2-methylsulfonyl-1-oxopentyl)-(2-methylpropylamino)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-2-[(4-methyl-2-methylsulfonylpentanoyl)-(2-methylpropylamino)amino]hexanoate Traditional Name: 2-[(isobutylamino)-(2-mesyl-4-methyl-pentanoyl)amino]-5-methyl-hexanoic acid tert-butyl ester Formula: C22H44N2O5S MolecularWeight: 448.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)OC(C)(C)C)N(C(=O)C(CC(C)C)S(=O)(=O)C)NCC(C)C

Isomeric SMILES

CC(C)CCC(C(=O)OC(C)(C)C)N(C(=O)C(CC(C)C)S(=O)(=O)C)NCC(C)C

InChI

InChI=1S/C22H44N2O5S/c1-15(2)11-12-18(21(26)29-22(7,8)9)24(23-14-17(5)6)20(25)19(13-16(3)4)30(10,27)28/h15-19,23H,11-14H2,1-10H3