3-(4-morpholin-4-ylcarbonyloxyphenyl)-2-[[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-morpholin-4-ylcarbonyloxyphenyl)-2-[[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[(1-benzylsulfonylpyrrolidine-2-carbonyl)amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid CAS Name: 3-[4-[4-morpholinyl(oxo)methoxy]phenyl]-2-[[oxo-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: 2-[(1-benzylsulfonylpyrrolidine-2-carbonyl)amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid Traditional Name: 2-[(1-benzylsulfonylprolyl)amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propionic acid Formula: C26H31N3O8S MolecularWeight: 545.60464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)O

InChI

InChI=1S/C26H31N3O8S/c30-24(23-7-4-12-29(23)38(34,35)18-20-5-2-1-3-6-20)27-22(25(31)32)17-19-8-10-21(11-9-19)37-26(33)28-13-15-36-16-14-28/h1-3,5-6,8-11,22-23H,4,7,12-18H2,(H,27,30)(H,31,32)