5-[1-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-1-oxidanylidene-pentan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-[1-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-1-oxidanylidene-pentan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyl-5-(1-tert-butoxycarbonyl-2-hydroxy-butyl)pyrrolidine-2-carboxylic acid CAS Name: 5-[3-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzyl-5-[3-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 1-benzyl-5-(1-tert-butoxycarbonyl-2-hydroxy-butyl)proline Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1CCC(N1CC2=CC=CC=C2)C(=O)O)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCC(C(C1CCC(N1CC2=CC=CC=C2)C(=O)O)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H31NO5/c1-5-17(23)18(20(26)27-21(2,3)4)15-11-12-16(19(24)25)22(15)13-14-9-7-6-8-10-14/h6-10,15-18,23H,5,11-13H2,1-4H3,(H,24,25)