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

Systemtic Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(3-methoxy-4-phenethyloxy-phenyl)carbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-2-ethoxycarbonyl-4-(3-methoxy-4-phenethyloxy-benzoyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-[(3-methoxy-4-phenethyloxyphenyl)-oxomethyl]-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(3-methoxy-4-phenethyloxybenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-2-carbethoxy-1-carbobenzoxy-4-(3-methoxy-4-phenethyloxy-benzoyl)pyrrolidin-3-yl]acetic acid Formula: C33H35NO9 MolecularWeight: 589.6323

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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)OCCC4=CC=CC=C4)OC)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)OCCC4=CC=CC=C4)OC)CC(=O)O

InChI

InChI=1S/C33H35NO9/c1-3-41-32(38)30-25(19-29(35)36)26(20-34(30)33(39)43-21-23-12-8-5-9-13-23)31(37)24-14-15-27(28(18-24)40-2)42-17-16-22-10-6-4-7-11-22/h4-15,18,25-26,30H,3,16-17,19-21H2,1-2H3,(H,35,36)/t25-,26-,30-/m0/s1