methyl (2S)-2-[but-2-ynyl-(4-methylphenyl)sulfonyl-amino]-4-phenylselanyl-butanoate

Systemtic Name: methyl (2S)-2-[but-2-ynyl-(4-methylphenyl)sulfonyl-amino]-4-phenylselanyl-butanoate Openeye Name: methyl (2S)-2-[but-2-ynyl(p-tolylsulfonyl)amino]-4-phenylselanyl-butanoate CAS Name: (2S)-2-[but-2-ynyl-(4-methylphenyl)sulfonylamino]-4-(phenylseleno)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[but-2-ynyl-(4-methylphenyl)sulfonylamino]-4-phenylselanylbutanoate Traditional Name: (2S)-2-[but-2-ynyl(tosyl)amino]-4-(phenylseleno)butyric acid methyl ester Formula: C22H25NO4SSe MolecularWeight: 478.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(C(CC[Se]C1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC#CCN([C@@H](CC[Se]C1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H25NO4SSe/c1-4-5-16-23(28(25,26)19-13-11-18(2)12-14-19)21(22(24)27-3)15-17-29-20-9-7-6-8-10-20/h6-14,21H,15-17H2,1-3H3/t21-/m0/s1