5-(1-acetamido-2-oxidanyl-4-phenyl-but-3-ynyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1-acetamido-2-oxidanyl-4-phenyl-but-3-ynyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(1-acetamido-2-hydroxy-4-phenyl-but-3-ynyl)-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(1-acetamido-2-hydroxy-4-phenylbut-3-ynyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(E)-prop-1-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1-acetamido-2-hydroxy-4-phenylbut-3-ynyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(E)-prop-1-enyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(1-acetamido-2-hydroxy-4-phenyl-but-3-ynyl)-1-tert-butoxycarbonyl-4-[(E)-prop-1-enyl]proline Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1CC(N(C1C(C(C#CC2=CC=CC=C2)O)NC(=O)C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

C/C=C/C1CC(N(C1C(C(C#CC2=CC=CC=C2)O)NC(=O)C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H32N2O6/c1-6-10-18-15-19(23(30)31)27(24(32)33-25(3,4)5)22(18)21(26-16(2)28)20(29)14-13-17-11-8-7-9-12-17/h6-12,18-22,29H,15H2,1-5H3,(H,26,28)(H,30,31)/b10-6+