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

Systemtic Name: 2-[(2S,3S,4R)-4-(3,4-dimethylphenyl)carbonyl-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-4-(3,4-dimethylbenzoyl)-2-ethoxycarbonyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-4-[(3,4-dimethylphenyl)-oxomethyl]-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-4-(3,4-dimethylbenzoyl)-2-ethoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-2-carbethoxy-1-carbobenzoxy-4-(3,4-dimethylbenzoyl)pyrrolidin-3-yl]acetic acid Formula: C26H29NO7 MolecularWeight: 467.51096

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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)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)CC(=O)O

InChI

InChI=1S/C26H29NO7/c1-4-33-25(31)23-20(13-22(28)29)21(24(30)19-11-10-16(2)17(3)12-19)14-27(23)26(32)34-15-18-8-6-5-7-9-18/h5-12,20-21,23H,4,13-15H2,1-3H3,(H,28,29)/t20-,21-,23-/m0/s1