(4-bromanyl-2-methyl-phenyl)sulfonyl 2-azanyl-3-methyl-3-(2-oxidanylpropylsulfanyl)butanoate

Systemtic Name: (4-bromanyl-2-methyl-phenyl)sulfonyl 2-azanyl-3-methyl-3-(2-oxidanylpropylsulfanyl)butanoate Openeye Name: (4-bromo-2-methyl-phenyl)sulfonyl 2-amino-3-(2-hydroxypropylsulfanyl)-3-methyl-butanoate CAS Name: 2-amino-3-(2-hydroxypropylthio)-3-methylbutanoic acid (4-bromo-2-methylphenyl)sulfonyl ester IUPAC Name: (4-bromo-2-methylphenyl)sulfonyl 2-amino-3-(2-hydroxypropylsulfanyl)-3-methylbutanoate Traditional Name: 2-amino-3-(2-hydroxypropylthio)-3-methyl-butyric acid (4-bromo-2-methyl-phenyl)sulfonyl ester Formula: C15H22BrNO5S2 MolecularWeight: 440.37288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)OC(=O)C(C(C)(C)SCC(C)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)OC(=O)C(C(C)(C)SCC(C)O)N

InChI

InChI=1S/C15H22BrNO5S2/c1-9-7-11(16)5-6-12(9)24(20,21)22-14(19)13(17)15(3,4)23-8-10(2)18/h5-7,10,13,18H,8,17H2,1-4H3