HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529625Generated: October 29, 2026
(2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanoic acid → (2R,5R)-2,5-Dibenzyl-N1-((4S,7R,10aS)-7-ethyl-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)hexanediamide
https://huagongshe.com/reaction/529625
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | (2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanoic acid | HCID 68310532 | — |
| Reactant | 4-Amino-7-ethylhexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one trifluoroacetate | HCID 86706259 | — |
| Product | (2R,5R)-2,5-Dibenzyl-N1-((4S,7R,10aS)-7-ethyl-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)hexanediamide | HCID 68311201 | — |
Reaction Steps
(2R,5R)-2,5-Dibenzyl-N1-((4S,7R,10aS)-7-ethyl-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)hexanediamide was synthesized as described in General Procedure H using Intermediate 70 (36 mg, 0.067 mmol) and Intermediate 74 (23 mg, 0.067 mmol) to give a white solid (25 mg, 49% yield). Anal. Calcd. for C44H56N4O5S m/z 752.7. found: 753.6 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.41-7.07 (m, 11H), 7.07-6.87 (m, 3H), 5.24 (s, 1H), 5.00-4.84 (m, 1H), 4.81-4.69 (m, 1H), 4.38-4.26 (m, 1H), 4.09-3.83 (m, 1H), 3.79 (d, J=3.5 Hz, 3H), 3.47-3.27 (m, 1H), 3.22-3.03 (m, 1H), 2.90-2.54 (m, 5H), 2.45-2.28 (m, 2H), 2.23-1.94 (m, 11H), 1.93-1.76 (m, 3H), 1.77-1.59 (m, 4H), 1.50 (d, J=29.0 Hz, 3H), 1.39-1.22 (m, 1H), 0.97-0.82 (m, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09346852B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-eb47f6e9928c45769652be1645a578b3 |
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| Source note | uspto-grants-2016_05 |
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