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

Systemtic Name: 3-[[2-[3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(5-tert-butoxycarbonyl-3-methoxycarbonyl-2-phenyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(5-tert-butoxycarbonyl-3-carbomethoxy-2-phenyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C27H31N3O8 MolecularWeight: 525.55034

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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)OC

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)OC

InChI

InChI=1S/C27H31N3O8/c1-27(2,3)38-25(35)20-14-19(24(34)37-4)22(16-9-6-5-7-10-16)30(20)21(31)15-28-26(36)29-18-12-8-11-17(13-18)23(32)33/h5-13,19-20,22H,14-15H2,1-4H3,(H,32,33)(H2,28,29,36)