methyl (2R,3S)-2-[2-bromanylethanoyl-(4-methylphenyl)sulfonyl-amino]-3-methylsulfanylcarbonyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[2-bromanylethanoyl-(4-methylphenyl)sulfonyl-amino]-3-methylsulfanylcarbonyl-pentanoate Openeye Name: methyl (2R,3S)-2-[(2-bromoacetyl)-(p-tolylsulfonyl)amino]-3-methylsulfanylcarbonyl-pentanoate CAS Name: (2R,3S)-2-[(2-bromo-1-oxoethyl)-(4-methylphenyl)sulfonylamino]-3-[(methylthio)-oxomethyl]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(2-bromoacetyl)-(4-methylphenyl)sulfonylamino]-3-methylsulfanylcarbonylpentanoate Traditional Name: (2R,3S)-2-[(2-bromoacetyl)-tosyl-amino]-3-(methylthio)carbonyl-valeric acid methyl ester Formula: C17H22BrNO6S2 MolecularWeight: 480.39368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)OC)N(C(=O)CBr)S(=O)(=O)C1=CC=C(C=C1)C)C(=O)SC

Isomeric SMILES

CC[C@@H]([C@H](C(=O)OC)N(C(=O)CBr)S(=O)(=O)C1=CC=C(C=C1)C)C(=O)SC

InChI

InChI=1S/C17H22BrNO6S2/c1-5-13(17(22)26-4)15(16(21)25-3)19(14(20)10-18)27(23,24)12-8-6-11(2)7-9-12/h6-9,13,15H,5,10H2,1-4H3/t13-,15+/m0/s1