3-[[2-[2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(5-tert-butoxycarbonyl-2-methyl-2-phenyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[2-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(5-tert-butoxycarbonyl-2-methyl-2-phenyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1(CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O6/c1-25(2,3)35-23(33)20-13-14-26(4,18-10-6-5-7-11-18)29(20)21(30)16-27-24(34)28-19-12-8-9-17(15-19)22(31)32/h5-12,15,20H,13-14,16H2,1-4H3,(H,31,32)(H2,27,28,34)