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Substance Name: Vasectrin II
RN: 63872-85-5
InChIKey: DSLZJTNJHMUOTH-UNGPUTHSSA-N

Note

  • Analog of porcine secretin with sequence intermediate between secretin & vasoactive intestinal peptide (VIP).

Molecular Formula

  • C132-H224-N44-O40

Molecular Weight

  • 3067.4896
 
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Names and Synonyms

Name of Substance

  • Vasectrin II

Synonyms

  • 4-Ala-5-val-secretin
  • Secretin, ala(4)-val(5)-
  • Secretin, alanyl(4)-valine(5)-
  • VS II

Systematic Names

  • Secretin (pig), 4-L-alanine-5-L-valine-
  • Secretin (swine), 4-L-alanine-5-L-valine-
  • Secretin, 4-L-alanine-5-L-valine-

Registry Numbers

CAS Registry Number

  • 63872-85-5

Other Registry Number

  • 72979-65-8

System Generated Number

  • 0063872855

Structure Descriptors

InChI

1S/C132H224N44O40/c1-60(2)43-81(121(209)174-100(66(13)14)103(136)191)154-96(184)54-150-107(195)78(33-36-94(134)182)159-116(204)84(46-63(7)8)166-118(206)85(47-64(9)10)164-109(197)75(30-24-40-147-130(139)140)156-112(200)79(34-37-95(135)183)160-117(205)83(45-62(5)6)162-108(196)74(29-23-39-146-129(137)138)155-104(192)68(17)153-123(211)90(55-177)171-120(208)89(52-99(189)190)167-111(199)76(31-25-41-148-131(141)142)157-115(203)82(44-61(3)4)163-110(198)77(32-26-42-149-132(143)144)158-124(212)92(57-179)172-119(207)86(48-65(11)12)165-113(201)80(35-38-97(185)186)161-125(213)93(58-180)173-128(216)102(70(19)181)176-122(210)87(49-71-27-21-20-22-28-71)169-127(215)101(67(15)16)175-105(193)69(18)152-114(202)88(51-98(187)188)168-126(214)91(56-178)170-106(194)73(133)50-72-53-145-59-151-72/h20-22,27-28,53,59-70,73-93,100-102,177-181H,23-26,29-52,54-58,133H2,1-19H3,(H2,134,182)(H2,135,183)(H2,136,191)(H,145,151)(H,150,195)(H,152,202)(H,153,211)(H,154,184)(H,155,192)(H,156,200)(H,157,203)(H,158,212)(H,159,204)(H,160,205)(H,161,213)(H,162,196)(H,163,198)(H,164,197)(H,165,201)(H,166,206)(H,167,199)(H,168,214)(H,169,215)(H,170,194)(H,171,208)(H,172,207)(H,173,216)(H,174,209)(H,175,193)(H,176,210)(H,185,186)(H,187,188)(H,189,190)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)(H4,143,144,149)/t68-,69-,70+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-,102-/m0/s1

InChIKey

DSLZJTNJHMUOTH-UNGPUTHSSA-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](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N