VASOACTIVE INTESTINAL CONTRACTOR [3-(125I)TYR]

CAS号
CCD编号
CCD00089951
分子式
C121 H165 I N26 O33 S3
分子量
2732.98

基本信息

产品名称: VASOACTIVE INTESTINAL CONTRACTOR [3-(125I)TYR]
英文同义词: VASOACTIVE INTESTINAL CONTRACTOR [3-(125I)TYR] ; VIC [3-(125I)TYR]
MDL号: MFCD00190082
氢键受体数量: 59
氢键供体数量: 34
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@@H]4CSSC[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)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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)Cc5ccccc5)Cc6ccc(cc6)O)C(C)C)CS)CCC(=O)O)CCCCN)CC(=O)O)CC(C)C)Cc7cc8ccccc8[nH]7)CO)CO)Cc9ccc(c(c9)[125I])O)CO)N
InChi: InChI=1S/C121H165IN26O33S3/c1-11-62(9)99(119(178)140-88(121(180)181)45-68-50-126-76-27-19-17-25-72(68)76)148-120(179)100(63(10)12-2)147-112(171)87(49-97(158)159)138-105(164)80(39-60(5)6)132-110(169)85(47-70-51-125-58-127-70)136-117(176)93-57-184-183-56-74(124)101(160)141-89(52-149)113(172)134-83(43-66-31-35-94(153)73(122)40-66)107(166)142-91(54-151)115(174)143-90(53-150)114(173)135-84(46-69-44-67-24-16-18-26-75(67)128-69)109(168)131-79(38-59(3)4)104(163)137-86(48-96(156)157)111(170)129-77(28-20-21-37-123)102(161)130-78(34-36-95(154)155)103(162)144-92(55-182)116(175)146-98(61(7)8)118(177)139-82(42-65-29-32-71(152)33-30-65)106(165)133-81(108(167)145-93)41-64-22-14-13-15-23-64/h13-19,22-27,29-33,35,40,44,50-51,58-63,74,77-93,98-100,126,128,149-153,182H,11-12,20-21,28,34,36-39,41-43,45-49,52-57,123-124H2,1-10H3,(H,125,127)(H,129,170)(H,130,161)(H,131,168)(H,132,169)(H,133,165)(H,134,172)(H,135,173)(H,136,176)(H,137,163)(H,138,164)(H,139,177)(H,140,178)(H,141,160)(H,142,166)(H,143,174)(H,144,162)(H,145,167)(H,146,175)(H,147,171)(H,148,179)(H,154,155)(H,156,157)(H,158,159)(H,180,181)/t62-,63-,74-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,98-,99-,100-/m0/s1/i122-2
InChiKey: InChIKey=ICFDJBXULQJCFG-TYAGTGIZSA-N

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