([125I]-TYR)-MOTILIN (HUMAN, PORCINE)

CAS No.
CCD No.
CCD00070335
Formula
C120 H187 I N34 O35 S
MolWeight
2823.07

Basic Information

Product Name: ([125I]-TYR)-MOTILIN (HUMAN, PORCINE)
English Synonyms: ([125I]-TYR)-MOTILIN (HUMAN, PORCINE)
MDL Number.: MFCD00142426
H bond acceptor: 69
H bond donor: 39
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(c(c2)[125I])O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)N
InChi: InChI=1S/C120H187IN34O35S/c1-9-63(6)97(153-114(185)85-31-22-51-155(85)117(188)96(62(4)5)152-99(170)69(124)55-65-23-12-10-13-24-65)115(186)151-83(56-66-25-14-11-15-26-66)113(184)154-98(64(7)156)116(187)150-82(57-67-32-39-86(157)68(121)54-67)101(172)136-59-91(162)137-74(36-43-93(164)165)105(176)148-81(53-61(2)3)111(182)146-76(34-41-88(126)159)106(177)141-72(29-20-49-133-119(129)130)103(174)147-79(46-52-191-8)110(181)143-75(33-40-87(125)158)107(178)145-78(38-45-95(168)169)108(179)140-71(28-17-19-48-123)102(173)144-77(37-44-94(166)167)109(180)142-73(30-21-50-134-120(131)132)104(175)149-84(58-90(128)161)112(183)139-70(27-16-18-47-122)100(171)135-60-92(163)138-80(118(189)190)35-42-89(127)160/h10-15,23-26,32,39,54,61-64,69-85,96-98,156-157H,9,16-22,27-31,33-38,40-53,55-60,122-124H2,1-8H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,181)(H,144,173)(H,145,178)(H,146,182)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t63-,64+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,96-,97-,98-/m0/s1/i121-2
InChiKey: InChIKey=XVYCPGOSTWHNBH-ODAAJTOSSA-N

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