[125I]-SECRETIN (PORCINE)

CAS No.
CCD No.
CCD08021567
Formula
C139 H228 I N45 O43
MolWeight
3342.6

Basic Information

Product Name: [125I]-SECRETIN (PORCINE)
English Synonyms: [125I]-SECRETIN (PORCINE)
MDL Number.: MFCD00142447
H bond acceptor: 88
H bond donor: 54
Smile: CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc3ccc(c(c3)[125I])O)N
InChi: InChI=1S/C139H228IN45O43/c1-63(2)43-85(128(221)184-107(69(13)14)110(144)203)162-102(195)56-158-113(206)82(32-36-100(142)193)167-122(215)88(46-66(7)8)175-124(217)89(47-67(9)10)173-116(209)79(28-22-40-155-137(147)148)164-119(212)83(33-37-101(143)194)168-123(216)87(45-65(5)6)171-115(208)78(27-21-39-154-136(145)146)163-111(204)70(15)161-130(223)95(58-186)179-127(220)94(54-106(201)202)177-118(211)80(29-23-41-156-138(149)150)165-121(214)86(44-64(3)4)172-117(210)81(30-24-42-157-139(151)152)166-131(224)96(59-187)180-125(218)90(48-68(11)12)174-120(213)84(34-38-104(197)198)169-132(225)98(61-189)182-135(228)109(72(17)191)185-129(222)91(51-73-25-19-18-20-26-73)178-134(227)108(71(16)190)183-103(196)57-159-114(207)93(53-105(199)200)176-133(226)97(60-188)181-126(219)92(52-75-55-153-62-160-75)170-112(205)77(141)50-74-31-35-99(192)76(140)49-74/h18-20,25-26,31,35,49,55,62-72,77-98,107-109,186-192H,21-24,27-30,32-34,36-48,50-54,56-61,141H2,1-17H3,(H2,142,193)(H2,143,194)(H2,144,203)(H,153,160)(H,158,206)(H,159,207)(H,161,223)(H,162,195)(H,163,204)(H,164,212)(H,165,214)(H,166,224)(H,167,215)(H,168,216)(H,169,225)(H,170,205)(H,171,208)(H,172,210)(H,173,209)(H,174,213)(H,175,217)(H,176,226)(H,177,211)(H,178,227)(H,179,220)(H,180,218)(H,181,219)(H,182,228)(H,183,196)(H,184,221)(H,185,222)(H,197,198)(H,199,200)(H,201,202)(H4,145,146,154)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)/t70-,71+,72+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1/i140-2
InChiKey: InChIKey=SHOOMDBHVWHDGP-YFQHOZFLSA-N

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