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

Systemtic Name: 3-[[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-3-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-[5-tert-butoxycarbonyl-2-phenyl-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[5-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-[oxo(1-pyrrolidinyl)methyl]-2-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-[5-tert-butoxycarbonyl-2-phenyl-3-(pyrrolidine-1-carbonyl)pyrrolidino]-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C30H36N4O7 MolecularWeight: 564.62944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(C(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(C(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C30H36N4O7/c1-30(2,3)41-28(39)23-17-22(26(36)33-14-7-8-15-33)25(19-10-5-4-6-11-19)34(23)24(35)18-31-29(40)32-21-13-9-12-20(16-21)27(37)38/h4-6,9-13,16,22-23,25H,7-8,14-15,17-18H2,1-3H3,(H,37,38)(H2,31,32,40)