(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
The title compound, C33H29N3O5, 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&a...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053680902025X |
| _version_ | 1819280093714841600 |
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| author | Zeliha Baktır Mehmet Akkurt Meglena I. Kandinska Milen G. Bogdanov Orhan Büyükgüngör |
| author_facet | Zeliha Baktır Mehmet Akkurt Meglena I. Kandinska Milen G. Bogdanov Orhan Büyükgüngör |
| author_sort | Zeliha Baktır |
| collection | DOAJ |
| description | The title compound, C33H29N3O5, 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 QT = 0.448 (2) Å, θ = 64.9 (3) and ϕ = 268.3 (3)°. The crystal is extended into a three-dimensional supramolecular architecture through intermolecular N—H...O hydrogen bonds and C—H...π interactions. The absolute structure was assigned by reference to the chiral starting material. |
| first_indexed | 2024-12-24T00:38:19Z |
| format | Article |
| id | doaj.art-5df6d8441e89476c870b9c6c4db52801 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:38:19Z |
| publishDate | 2009-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-5df6d8441e89476c870b9c6c4db528012022-12-21T17:24:01ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-07-01657o1461o146210.1107/S160053680902025X(S)-Methyl 2-[(3R,4R)-2-benzyl-3-(2-furyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamido]-3-(1H-indol-3-yl)propanoateZeliha BaktırMehmet AkkurtMeglena I. KandinskaMilen G. BogdanovOrhan BüyükgüngörThe title compound, C33H29N3O5, 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 QT = 0.448 (2) Å, θ = 64.9 (3) and ϕ = 268.3 (3)°. The crystal is extended into a three-dimensional supramolecular architecture through intermolecular N—H...O hydrogen bonds and C—H...π interactions. The absolute structure was assigned by reference to the chiral starting material.http://scripts.iucr.org/cgi-bin/paper?S160053680902025X |
| spellingShingle | Zeliha Baktır Mehmet Akkurt Meglena I. Kandinska Milen G. Bogdanov Orhan Büyükgüngör (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 Acta Crystallographica Section E |
| title | (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 |
| title_full | (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 |
| title_fullStr | (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 |
| title_full_unstemmed | (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 |
| title_short | (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 |
| title_sort | 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053680902025X |
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