(S)-Methyl 2-[(3R,4R)-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamido]-3-(1H-indol-3-yl)propanoate

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Baktir Z., AKKURT M., Kandinska M. I., Bogdanov M. G., Buyukgungor O.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, vol.65, pp.1461-1475, 2009 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 65
• Publication Date: 2009
• Doi Number: 10.1107/s160053680902025x
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED)
• Page Numbers: pp.1461-1475
• Ondokuz Mayıs University Affiliated: Yes

Abstract

The title compound, C(33)H(29)N(3)O(5), was synthesized by the reaction of racemic trans-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, l-tryptophan methyl ester and diisopropylcarbodiimide in dry dichloromethane. The furan ring is disordered over two positions in a 0.859 (14):0.141 (14) ratio. In the 1,2,3,4-tetrahydroisoquinoline ring system, the heterocyclic ring is not planar, with puckering parameters Q(T) = 0.448 (2) angstrom, theta = 64.9 (3) and phi = 268.3 (3)degrees. The crystal is extended into a three-dimensional supramolecular architecture through intermolecular N-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi interactions. The absolute structure was assigned by reference to the chiral starting material.