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

Systemtic Name: 3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(2-tert-butoxycarbonyl-3-phenyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(2-tert-butoxycarbonyl-3-phenyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCN1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CCN1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O6/c1-25(2,3)34-23(32)21-19(16-8-5-4-6-9-16)12-13-28(21)20(29)15-26-24(33)27-18-11-7-10-17(14-18)22(30)31/h4-11,14,19,21H,12-13,15H2,1-3H3,(H,30,31)(H2,26,27,33)