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

Systemtic Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-4-(4-prop-1-en-2-ylphenyl)carbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S,4R)-1-benzyloxycarbonyl-2-ethoxycarbonyl-4-(4-isopropenylbenzoyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-4-[[4-(1-methylethenyl)phenyl]-oxomethyl]-1-phenylmethoxycarbonyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(2S,3S,4R)-2-ethoxycarbonyl-1-phenylmethoxycarbonyl-4-(4-prop-1-en-2-ylbenzoyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[(2S,3S,4R)-2-carbethoxy-1-carbobenzoxy-4-(4-isopropenylbenzoyl)pyrrolidin-3-yl]acetic acid Formula: C27H29NO7 MolecularWeight: 479.52166

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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)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)CC(=O)O

InChI

InChI=1S/C27H29NO7/c1-4-34-26(32)24-21(14-23(29)30)22(25(31)20-12-10-19(11-13-20)17(2)3)15-28(24)27(33)35-16-18-8-6-5-7-9-18/h5-13,21-22,24H,2,4,14-16H2,1,3H3,(H,29,30)/t21-,22-,24-/m0/s1