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

Systemtic Name: 3-[[2-[2-butyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(2-tert-butoxycarbonyl-5-butyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[2-butyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-butyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(2-tert-butoxycarbonyl-5-butyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O6/c1-5-6-10-17-11-12-18(21(30)32-23(2,3)4)26(17)19(27)14-24-22(31)25-16-9-7-8-15(13-16)20(28)29/h7-9,13,17-18H,5-6,10-12,14H2,1-4H3,(H,28,29)(H2,24,25,31)