2-[(2S,3S,4R)-4-(4-tert-butylphenyl)carbonyl-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S,4R)-4-(4-tert-butylphenyl)carbonyl-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-4-(4-tert-butylbenzoyl)-2-ethoxycarbonyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-4-[(4-tert-butylphenyl)-oxomethyl]-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-4-(4-tert-butylbenzoyl)-2-ethoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-4-(4-tert-butylbenzoyl)-2-carbethoxy-1-carbobenzoxy-pyrrolidin-3-yl]acetic acid Formula: C28H33NO7 MolecularWeight: 495.56412

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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)C(C)(C)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)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C28H33NO7/c1-5-35-26(33)24-21(15-23(30)31)22(25(32)19-11-13-20(14-12-19)28(2,3)4)16-29(24)27(34)36-17-18-9-7-6-8-10-18/h6-14,21-22,24H,5,15-17H2,1-4H3,(H,30,31)/t21-,22-,24-/m0/s1