tert-butyl 5-fluoranyl-3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]-4-oxidanyl-pentanoate

Systemtic Name: tert-butyl 5-fluoranyl-3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]-4-oxidanyl-pentanoate Openeye Name: tert-butyl 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]amino]pentanoate CAS Name: 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]pentanoate Traditional Name: 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-2-(tosylamino)butanoyl]amino]valeric acid tert-butyl ester Formula: C21H33FN2O6S MolecularWeight: 460.559923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(CF)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(CF)O

InChI

InChI=1S/C21H33FN2O6S/c1-13(2)19(24-31(28,29)15-9-7-14(3)8-10-15)20(27)23-16(17(25)12-22)11-18(26)30-21(4,5)6/h7-10,13,16-17,19,24-25H,11-12H2,1-6H3,(H,23,27)/t16?,17?,19-/m0/s1