methyl 3-[[(2S,4S)-4-acetyloxy-1-(4-fluorophenyl)sulfonyl-pyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[(2S,4S)-4-acetyloxy-1-(4-fluorophenyl)sulfonyl-pyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[(2S,4S)-4-acetoxy-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 3-[[[(2S,4S)-4-acetyloxy-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2S,4S)-4-acetyloxy-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoate Traditional Name: 3-[[(2S,4S)-4-acetoxy-1-(4-fluorophenyl)sulfonyl-prolyl]amino]propionic acid methyl ester Formula: C17H21FN2O7S MolecularWeight: 416.421243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCC(=O)OC

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCC(=O)OC

InChI

InChI=1S/C17H21FN2O7S/c1-11(21)27-13-9-15(17(23)19-8-7-16(22)26-2)20(10-13)28(24,25)14-5-3-12(18)4-6-14/h3-6,13,15H,7-10H2,1-2H3,(H,19,23)/t13-,15-/m0/s1