Indole → HCID 16113798, compound
Reaction equation
[NH2:1][C:2]([C:5]([OH:7])=O)([CH3:4])[CH3:3].[NH:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[CH:10]=[CH:9]1.[NH2:17][C@H:18]([C:29](O)=O)[CH2:19][C:20]1[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[NH:22][CH:21]=1.N1[CH:36]=[CH:35][N:34]=[N:33]1>>[NH:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[C:10]([CH2:29][CH2:18][N:17]2[C:35]([CH2:36][CH2:19][C:20]3[C:28]4[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=4)[NH:22][CH:21]=3)=[N:34][N:33]=[C:29]2[C@H:18]([NH:17][C:5](=[O:7])[C:2]([NH2:1])([CH3:4])[CH3:3])[CH2:19][C:20]2[C:28]3[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=3)[NH:22][CH:21]=2)=[CH:9]1Participants
Procedure
δ (ppm) 22.7 (C—CH2—CH2-indole), 23.6 (CH3 Aib), 23.8 (CH3 Aib), 25.4 (C—CH2—CH2-indole), 26.0 (N—CH2—CH2-indole), 29.6 (CH2 βTrp), 43.9 (N—CH2—CH2-indole), 46.0 (CH αTrp), 56.8 (Cq Aib), 109.5 (C3 indole from N—CH2—CH2-indole), 109.9 (C3 Trp), 111.7 (C7 Trp), 111.9 (C7 indole from N—CH2—CH2-indole and C7 indole from C—CH2—CH2-indole), 113.5 (C3 indole from C—CH2—CH2-indole), 118.3 (C4 indole from N—CH2—CH2-indole), 118.4 (C4 Trp), 118.5 (C5 indole from C—CH2—CH2-indole), 118.7 (C4 indole from C—CH2—CH2-indole), 118.9 (C5 Trp), 119.0 (C5 indole from N—CH2—CH2-indole), 121.3 (C6 Trp), 121.5 (C6 indole from C—CH2—CH2-indole and C6 indole from N—CH2—CH2-indole), 122.8 (C2 Trp, C2 indole from C—CH2—CH2-indole and indole from N—CH2—CH2-indole), 127.1 (C9 Trp), 127.2 (C9 indole from C—CH2—CH2-indole), 127.4 (C9 indole from N—CH2—CH2-indole), 136.5 (C8 Trp and C8 indole from C—CH2—CH2-indole), 136.6 (C8 indole from N—CH2—CH2-indole), 154.5 (Cq triazole), 154.8 (Cq triazole), 171.8 (CO amide).
Sources & evidence
- ORD record
- ord-b2b121503a45480f943a20464bab2c99
- Source dataset
- uspto-grants-2010_11
- Patent number
- US07829724B2
Reaction notes
Loading…