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Substance Name: Secretin, -tyr(10)-
RN: 63220-78-0
InChIKey: MNXSHVCSKTVYSA-YFUKFYKBSA-N

Molecular Formula

  • C133-H218-N44-O42

Molecular Weight

  • 3105.4512
 
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Names and Synonyms

Name of Substance

  • Secretin, -tyr(10)-

Synonyms

  • 10-Iodo-tyr-secretin
  • Secretin, tyrosine(10)-

Systematic Name

  • Secretin (pig), 10-L-tyrosine-

Registry Numbers

CAS Registry Number

  • 63220-78-0

System Generated Number

  • 0063220780

Structure Descriptors

InChI

1S/C133H218N44O42/c1-61(2)43-82(122(212)176-102(66(11)12)105(137)195)155-97(187)54-151-108(198)79(33-36-95(135)185)160-117(207)85(46-64(7)8)166-119(209)86(47-65(9)10)165-111(201)76(26-20-40-148-131(140)141)157-114(204)80(34-37-96(136)186)161-118(208)84(45-63(5)6)163-110(200)75(25-19-39-147-130(138)139)156-106(196)67(13)154-124(214)91(56-178)172-121(211)90(52-101(193)194)169-113(203)77(27-21-41-149-132(142)143)158-116(206)83(44-62(3)4)164-112(202)78(28-22-42-150-133(144)145)159-125(215)93(58-180)173-120(210)87(49-71-29-31-73(184)32-30-71)167-115(205)81(35-38-99(189)190)162-126(216)94(59-181)174-129(219)104(69(15)183)177-123(213)88(48-70-23-17-16-18-24-70)170-128(218)103(68(14)182)175-98(188)55-152-109(199)89(51-100(191)192)168-127(217)92(57-179)171-107(197)74(134)50-72-53-146-60-153-72/h16-18,23-24,29-32,53,60-69,74-94,102-104,178-184H,19-22,25-28,33-52,54-59,134H2,1-15H3,(H2,135,185)(H2,136,186)(H2,137,195)(H,146,153)(H,151,198)(H,152,199)(H,154,214)(H,155,187)(H,156,196)(H,157,204)(H,158,206)(H,159,215)(H,160,207)(H,161,208)(H,162,216)(H,163,200)(H,164,202)(H,165,201)(H,166,209)(H,167,205)(H,168,217)(H,169,203)(H,170,218)(H,171,197)(H,172,211)(H,173,210)(H,174,219)(H,175,188)(H,176,212)(H,177,213)(H,189,190)(H,191,192)(H,193,194)(H4,138,139,147)(H4,140,141,148)(H4,142,143,149)(H4,144,145,150)/t67-,68+,69+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-/m0/s1

InChIKey

MNXSHVCSKTVYSA-YFUKFYKBSA-N

Smiles

CC(C)C[C@H](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](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3cnc[nH]3)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N