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Substance Name: Vasectrin I
RN: 64610-22-6
InChIKey: FVUJPXXDENYILK-WITUOYQCSA-N

Note

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

Molecular Formula

  • C131-H222-N44-O41

Molecular Weight

  • 3069.4618
 
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Names and Synonyms

Name of Substance

  • Vasectrin I

Synonyms

  • 4-Ala-secretin
  • Secretin, ala(4)-
  • Secretin, alanine(4)-
  • VS I

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 64610-22-6

System Generated Number

  • 0064610226

Structure Descriptors

InChI

1S/C131H222N44O41/c1-59(2)42-80(120(209)173-99(65(13)14)102(135)191)153-95(184)53-149-106(195)77(32-35-93(133)182)158-115(204)83(45-62(7)8)165-117(206)84(46-63(9)10)163-108(197)74(29-23-39-146-129(138)139)155-111(200)78(33-36-94(134)183)159-116(205)82(44-61(5)6)161-107(196)73(28-22-38-145-128(136)137)154-103(192)66(15)152-122(211)89(54-176)170-119(208)88(51-98(189)190)166-110(199)75(30-24-40-147-130(140)141)156-114(203)81(43-60(3)4)162-109(198)76(31-25-41-148-131(142)143)157-123(212)91(56-178)171-118(207)85(47-64(11)12)164-112(201)79(34-37-96(185)186)160-124(213)92(57-179)172-127(216)101(69(18)181)175-121(210)86(48-70-26-20-19-21-27-70)168-126(215)100(68(17)180)174-104(193)67(16)151-113(202)87(50-97(187)188)167-125(214)90(55-177)169-105(194)72(132)49-71-52-144-58-150-71/h19-21,26-27,52,58-69,72-92,99-101,176-181H,22-25,28-51,53-57,132H2,1-18H3,(H2,133,182)(H2,134,183)(H2,135,191)(H,144,150)(H,149,195)(H,151,202)(H,152,211)(H,153,184)(H,154,192)(H,155,200)(H,156,203)(H,157,212)(H,158,204)(H,159,205)(H,160,213)(H,161,196)(H,162,198)(H,163,197)(H,164,201)(H,165,206)(H,166,199)(H,167,214)(H,168,215)(H,169,194)(H,170,208)(H,171,207)(H,172,216)(H,173,209)(H,174,193)(H,175,210)(H,185,186)(H,187,188)(H,189,190)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)/t66-,67-,68+,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-/m0/s1

InChIKey

FVUJPXXDENYILK-WITUOYQCSA-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@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N