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

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

CCCCC1=CC=C(C=C1)C(=O)C2CN(C(C2CC(=O)O)C(=O)OCC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)[C@H]2CN([C@@H]([C@H]2CC(=O)O)C(=O)OCC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H33NO7/c1-3-5-9-19-12-14-21(15-13-19)26(32)23-17-29(28(34)36-18-20-10-7-6-8-11-20)25(27(33)35-4-2)22(23)16-24(30)31/h6-8,10-15,22-23,25H,3-5,9,16-18H2,1-2H3,(H,30,31)/t22-,23-,25-/m0/s1