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

Systemtic Name: 5-(1-acetamido-2-oxidanyl-2-thiophen-2-yl-ethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-[1-acetamido-2-hydroxy-2-(2-thienyl)ethyl]-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(1-acetamido-2-hydroxy-2-thiophen-2-ylethyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(E)-prop-1-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1-acetamido-2-hydroxy-2-thiophen-2-ylethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-[1-acetamido-2-hydroxy-2-(2-thienyl)ethyl]-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]proline Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1CC(N(C1C(C(C2=CC=CS2)O)NC(=O)C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

C/C=C/C1CC(N(C1C(C(C2=CC=CS2)O)NC(=O)C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H30N2O6S/c1-6-8-13-11-14(19(26)27)23(20(28)29-21(3,4)5)17(13)16(22-12(2)24)18(25)15-9-7-10-30-15/h6-10,13-14,16-18,25H,11H2,1-5H3,(H,22,24)(H,26,27)/b8-6+