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

Systemtic Name: 3-[[2-[3-ethanoyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(3-acetyl-5-tert-butoxycarbonyl-2-phenyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[3-acetyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-acetyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(3-acetyl-5-tert-butoxycarbonyl-2-phenyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H31N3O7/c1-16(31)20-14-21(25(35)37-27(2,3)4)30(23(20)17-9-6-5-7-10-17)22(32)15-28-26(36)29-19-12-8-11-18(13-19)24(33)34/h5-13,20-21,23H,14-15H2,1-4H3,(H,33,34)(H2,28,29,36)