(4S)-6-(2-fluoranyl-4-morpholin-4-ylsulfonyl-phenoxy)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (4S)-6-(2-fluoranyl-4-morpholin-4-ylsulfonyl-phenoxy)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (4S)-4-(benzyloxycarbonylamino)-6-(2-fluoro-4-morpholinosulfonyl-phenoxy)-5-oxo-hexanoic acid CAS Name: (4S)-6-[2-fluoro-4-(4-morpholinylsulfonyl)phenoxy]-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (4S)-6-(2-fluoro-4-morpholin-4-ylsulfonylphenoxy)-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (4S)-4-(benzyloxycarbonylamino)-6-(2-fluoro-4-morpholinosulfonyl-phenoxy)-5-keto-hexanoic acid Formula: C24H27FN2O9S MolecularWeight: 538.542583

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C(CCC(=O)O)NC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)[C@H](CCC(=O)O)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C24H27FN2O9S/c25-19-14-18(37(32,33)27-10-12-34-13-11-27)6-8-22(19)35-16-21(28)20(7-9-23(29)30)26-24(31)36-15-17-4-2-1-3-5-17/h1-6,8,14,20H,7,9-13,15-16H2,(H,26,31)(H,29,30)/t20-/m0/s1