5-(1-acetamido-4-ethoxy-2-oxidanyl-4-oxidanylidene-butyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1-acetamido-4-ethoxy-2-oxidanyl-4-oxidanylidene-butyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(1-acetamido-4-ethoxy-2-hydroxy-4-oxo-butyl)-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(1-acetamido-4-ethoxy-2-hydroxy-4-oxobutyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(E)-prop-1-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1-acetamido-4-ethoxy-2-hydroxy-4-oxobutyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(1-acetamido-4-ethoxy-2-hydroxy-4-keto-butyl)-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]proline Formula: C21H34N2O8 MolecularWeight: 442.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C1C(CC(N1C(=O)OC(C)(C)C)C(=O)O)C=CC)NC(=O)C)O

Isomeric SMILES

CCOC(=O)CC(C(C1C(CC(N1C(=O)OC(C)(C)C)C(=O)O)/C=C/C)NC(=O)C)O

InChI

InChI=1S/C21H34N2O8/c1-7-9-13-10-14(19(27)28)23(20(29)31-21(4,5)6)18(13)17(22-12(3)24)15(25)11-16(26)30-8-2/h7,9,13-15,17-18,25H,8,10-11H2,1-6H3,(H,22,24)(H,27,28)/b9-7+