[TYR28, NLE31] CHOLECYSTOKININ-33 (25-33), [125I]

CAS No.
CCD No.
CCD00898816
Formula
C55 H73 I N14 O15
MolWeight
1295.26

Basic Information

Product Name: [TYR28, NLE31] CHOLECYSTOKININ-33 (25-33), [125I]
English Synonyms: [TYR28, NLE31] CHOLECYSTOKININ-33 (25-33), [125I]
MDL Number.: MFCD09954057
H bond acceptor: 29
H bond donor: 17
Smile: CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](CC2C=Nc3c2cccc3)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4ccc(c(c4)[125I])O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)N
InChi: InChI=1S/C55H73IN14O15/c1-3-4-15-36(49(80)69-41(25-45(76)77)51(82)66-37(47(58)78)21-29-11-6-5-7-12-29)65-50(81)39(23-31-26-62-35-16-9-8-13-32(31)35)64-43(73)27-63-54(85)46(28(2)71)70-53(84)38(22-30-17-18-42(72)33(56)20-30)68-52(83)40(24-44(74)75)67-48(79)34(57)14-10-19-61-55(59)60/h5-9,11-13,16-18,20,26,28,31,34,36-41,46,71-72H,3-4,10,14-15,19,21-25,27,57H2,1-2H3,(H2,58,78)(H,63,85)(H,64,73)(H,65,81)(H,66,82)(H,67,79)(H,68,83)(H,69,80)(H,70,84)(H,74,75)(H,76,77)(H4,59,60,61)/t28-,31?,34+,36+,37+,38+,39+,40+,41+,46+/m1/s1/i56-2
InChiKey: InChIKey=DGGQXMGLFMZUMD-DSCKDLHDSA-N

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