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

Systemtic Name: 5-(1-acetamido-2-oxidanyl-hexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(1-acetamido-2-hydroxy-hexyl)-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(1-acetamido-2-hydroxyhexyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(E)-prop-1-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1-acetamido-2-hydroxyhexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(1-acetamido-2-hydroxy-hexyl)-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]proline Formula: C21H36N2O6 MolecularWeight: 412.52034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O6/c1-7-9-11-16(25)17(22-13(3)24)18-14(10-8-2)12-15(19(26)27)23(18)20(28)29-21(4,5)6/h8,10,14-18,25H,7,9,11-12H2,1-6H3,(H,22,24)(H,26,27)/b10-8+