2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(4-fluoranyl-3-methyl-phenyl)carbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(4-fluoranyl-3-methyl-phenyl)carbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-2-ethoxycarbonyl-4-(4-fluoro-3-methyl-benzoyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-[(4-fluoro-3-methylphenyl)-oxomethyl]-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(4-fluoro-3-methylbenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-2-carbethoxy-1-carbobenzoxy-4-(4-fluoro-3-methyl-benzoyl)pyrrolidin-3-yl]acetic acid Formula: C25H26FNO7 MolecularWeight: 471.474843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)F)C)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)F)C)CC(=O)O

InChI

InChI=1S/C25H26FNO7/c1-3-33-24(31)22-18(12-21(28)29)19(23(30)17-9-10-20(26)15(2)11-17)13-27(22)25(32)34-14-16-7-5-4-6-8-16/h4-11,18-19,22H,3,12-14H2,1-2H3,(H,28,29)/t18-,19-,22-/m0/s1