TTD Drug ID: DNC004727

Drug Information
Name	Des-AA1,2,5-[D-Trp8,IAmp9]SRIF CH-275
Indication	Not Available			Experimental
Structure	Click to save drug structure in 3D MOL format Click to save drug structure in 2D MOL format
InChI	1S/C74H96N14O15S2/c1-42(2)77-37-49-29-27-48(28-30-49)35-57-69(97) 87-62(43(3)90)72(100)84-58(34-47-22-12-7-13-23-47)70(98)88-63(44( 4)91)73(101)85-60(39-89)71(99)86-61(74(102)103)41-105-104-40-52(7 6)64(92)79-54(26-16-17-31-75)65(93)80-55(32-45-18-8-5-9-19-45)66( 94)81-56(33-46-20-10-6-11-21-46)67(95)83-59(68(96)82-57)36-50-38- 78-53-25-15-14-24-51(50)53/h5-15,18-25,27-30,38,42-44,52,54-63,77 -78,89-91H,16-17,26,31-37,39-41,75-76H2,1-4H3,(H,79,92)(H,80,93)( H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,99)(H,87,97)( H,88,98)(H,102,103)/t43-,44-,52-,54-,55-,56+,57+,58+,59+,60+,61+, 62-,63-/m1/s1
InChIKey	SYHQUPOPQRNSKD-ZDFJKKNGSA-N
Canonical SMILES	CC(C)NCC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(= O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5) CC6=CC=CC=C6)CCCCN)N)C(=O)O)CO)C(C)O)CC7=CC=CC=C7)C(C)O
Isomeric SMILES	C[C@H]([C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@ H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O) N1)CC2=CC=C(C=C2)CNC(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6) CCCCN)N)C(=O)O)CO)[C@@H](C)O)CC7=CC=CC=C7)O
Target	Somatostatin receptor 1			Inhibitor	[1]
	Somatostatin receptor 3			Inhibitor	[1]
Ref 1	J Med Chem. 2005 Jan 27;48(2):507-14.Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan. To Reference

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