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

Systemtic Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(3-methyl-4-pentoxy-phenyl)carbonyl-1-phenylmethoxycarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-2-ethoxycarbonyl-4-(3-methyl-4-pentoxy-benzoyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-[(3-methyl-4-pentoxyphenyl)-oxomethyl]-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-(3-methyl-4-pentoxybenzoyl)-1-phenylmethoxycarbonylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-4-(4-amoxy-3-methyl-benzoyl)-2-carbethoxy-1-carbobenzoxy-pyrrolidin-3-yl]acetic acid Formula: C30H37NO8 MolecularWeight: 539.61668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=O)C2CN(C(C2CC(=O)O)C(=O)OCC)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=O)[C@H]2CN([C@@H]([C@H]2CC(=O)O)C(=O)OCC)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C30H37NO8/c1-4-6-10-15-38-25-14-13-22(16-20(25)3)28(34)24-18-31(30(36)39-19-21-11-8-7-9-12-21)27(29(35)37-5-2)23(24)17-26(32)33/h7-9,11-14,16,23-24,27H,4-6,10,15,17-19H2,1-3H3,(H,32,33)/t23-,24-,27-/m0/s1