tert-butyl 4-methyl-4-[(4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanoyl)amino]pentanoate

Systemtic Name: tert-butyl 4-methyl-4-[(4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanoyl)amino]pentanoate Openeye Name: tert-butyl 4-[(3-hydroxy-4-methyl-4-phenylsulfanyl-pentanoyl)amino]-4-methyl-pentanoate CAS Name: 4-[[3-hydroxy-4-methyl-1-oxo-4-(phenylthio)pentyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoate Traditional Name: 4-[[3-hydroxy-4-methyl-4-(phenylthio)pentanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C22H35NO4S MolecularWeight: 409.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C)(C)NC(=O)CC(C(C)(C)SC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C)(C)NC(=O)CC(C(C)(C)SC1=CC=CC=C1)O

InChI

InChI=1S/C22H35NO4S/c1-20(2,3)27-19(26)13-14-21(4,5)23-18(25)15-17(24)22(6,7)28-16-11-9-8-10-12-16/h8-12,17,24H,13-15H2,1-7H3,(H,23,25)