3-[4-[(2-methoxynaphthalen-1-yl)carbonylamino]phenyl]-2-[[3-(phenylsulfonyl)-3-azabicyclo[2.2.2]octan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[(2-methoxynaphthalen-1-yl)carbonylamino]phenyl]-2-[[3-(phenylsulfonyl)-3-azabicyclo[2.2.2]octan-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(benzenesulfonyl)-3-azabicyclo[2.2.2]octane-2-carbonyl]amino]-3-[4-[(2-methoxynaphthalene-1-carbonyl)amino]phenyl]propanoic acid CAS Name: 2-[[[3-(benzenesulfonyl)-3-azabicyclo[2.2.2]octan-2-yl]-oxomethyl]amino]-3-[4-[[(2-methoxy-1-naphthalenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[[3-(benzenesulfonyl)-3-azabicyclo[2.2.2]octane-2-carbonyl]amino]-3-[4-[(2-methoxynaphthalene-1-carbonyl)amino]phenyl]propanoic acid Traditional Name: 2-[(3-besyl-3-azabicyclo[2.2.2]octane-2-carbonyl)amino]-3-[4-[(2-methoxy-1-naphthoyl)amino]phenyl]propionic acid Formula: C35H35N3O7S MolecularWeight: 641.7333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4C5CCC(N4S(=O)(=O)C6=CC=CC=C6)CC5

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4C5CCC(N4S(=O)(=O)C6=CC=CC=C6)CC5

InChI

InChI=1S/C35H35N3O7S/c1-45-30-20-15-23-7-5-6-10-28(23)31(30)33(39)36-25-16-11-22(12-17-25)21-29(35(41)42)37-34(40)32-24-13-18-26(19-14-24)38(32)46(43,44)27-8-3-2-4-9-27/h2-12,15-17,20,24,26,29,32H,13-14,18-19,21H2,1H3,(H,36,39)(H,37,40)(H,41,42)