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Secretin, canine

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Description
Secretin is an endocrine hormone that stimulates the secretion of bicarbonate-rich pancreatic fluids. Canine secretin can regulates gastric chief cell function and paracellular permeability in canine gastric monolayers by a Src kinase-dependent pathway.
CAS Number
110786-77-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
3069.43
Molecular Formula
C131H222N44O41
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

H-His-Ser-Asp-Gly-Thr-Phe-Thr-Ser-Glu-Leu-Ser-Arg-Leu-Arg-Glu-Ser-Ala-Arg-Leu-Gln-Arg-Leu-Leu-Gln-Gly-Leu-Val-NH2
CAS Number110786-77-1
PubChem CID70697624
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC131H222N44O41
Molecular Weight3069.4
XLogP-13.7
Topological Polar Surface Area1420
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count47
Rotatable Bond Count110
Heavy Atom Count216
Formal Charge0
Complexity7000
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)N)O
InChI
InChI=1S/C131H222N44O41/c1-60(2)43-81(120(209)174-100(66(13)14)103(135)192)153-95(184)53-149-106(195)77(31-35-93(133)182)158-116(205)84(46-63(7)8)166-118(207)85(47-64(9)10)164-110(199)75(29-23-41-147-130(140)141)155-112(201)78(32-36-94(134)183)160-117(206)83(45-62(5)6)162-109(198)73(27-21-39-145-128(136)137)154-104(193)67(15)152-122(211)89(55-176)170-114(203)80(34-38-98(188)189)159-108(197)74(28-22-40-146-129(138)139)156-115(204)82(44-61(3)4)163-111(200)76(30-24-42-148-131(142)143)157-123(212)91(57-178)171-119(208)86(48-65(11)12)165-113(202)79(33-37-97(186)187)161-124(213)92(58-179)172-127(216)102(69(17)181)175-121(210)87(49-70-25-19-18-20-26-70)168-126(215)101(68(16)180)173-96(185)54-150-107(196)88(51-99(190)191)167-125(214)90(56-177)169-105(194)72(132)50-71-52-144-59-151-71/h18-20,25-26,52,59-69,72-92,100-102,176-181H,21-24,27-51,53-58,132H2,1-17H3,(H2,133,182)(H2,134,183)(H2,135,192)(H,144,151)(H,149,195)(H,150,196)(H,152,211)(H,153,184)(H,154,193)(H,155,201)(H,156,204)(H,157,212)(H,158,205)(H,159,197)(H,160,206)(H,161,213)(H,162,198)(H,163,200)(H,164,199)(H,165,202)(H,166,207)(H,167,214)(H,168,215)(H,169,194)(H,170,203)(H,171,208)(H,172,216)(H,173,185)(H,174,209)(H,175,210)(H,186,187)(H,188,189)(H,190,191)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)/t67-,68+,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-,101-,102-/m0/s1
InChIKey
FGZMZLCGQWXSNU-ICFIFICISA-N
Chemical Structure
2D Structure
2D structure of H-His-Ser-Asp-Gly-Thr-Phe-Thr-Ser-Glu-Leu-Ser-Arg-Leu-Arg-Glu-Ser-Ala-Arg-Leu-Gln-Arg-Leu-Leu-Gln-Gly-Leu-Val-NH2
CAS: 110786-77-1
CID: 70697624
Formula: C131H222N44O41
MW: 3069.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3069.4
XLogP3-13.7
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count47
Rotatable Bond Count110
Exact Mass3068.6672675
Monoisotopic Mass3067.6639127
Topological Polar Surface Area1420 Ų
Heavy Atom Count216
Formal Charge0
Complexity7000
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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