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Copeptin (rat)

CAT: 0013-GTR19259777-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259777-02Size:50 mg
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Description
Copeptin (rat) is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development.
CAS Number
86280-64-0
Purity
>98% (HPLC)
Solubility
H2O : ≥ 100 mg/mL (23.35 mM)
Molecular Formula
C183H307N57O61
Molecular Weight
4281.74
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Copeptin (rat)
CAS Number86280-64-0
PubChem CID171920907
IUPAC Name(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC183H307N57O61
Molecular Weight4282
XLogP-20.4
Topological Polar Surface Area1950
Hydrogen Bond Donor Count67
Hydrogen Bond Acceptor Count67
Rotatable Bond Count148
Heavy Atom Count301
Formal Charge0
Complexity10600
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)O
InChI
InChI=1S/C183H307N57O61/c1-81(2)66-111(160(281)205-91(20)144(265)203-76-131(252)234-141(95(24)244)176(297)218-104(46-53-127(187)248)152(273)215-109(51-58-135(258)259)158(279)232-123(80-243)170(291)237-139(88(15)16)174(295)229-119(75-137(262)263)166(287)233-121(78-241)168(289)207-92(21)146(267)220-110(34-26-27-59-184)178(299)240-65-33-40-125(240)172(293)216-102(38-31-63-202-183(197)198)159(280)235-140(89(17)18)175(296)230-120(179(300)301)72-97-41-43-98(246)44-42-97)221-154(275)105(47-54-128(188)249)217-173(294)138(87(13)14)236-167(288)116(71-86(11)12)224-151(272)101(37-30-62-201-182(195)196)211-162(283)112(67-82(3)4)225-164(285)115(70-85(9)10)226-163(284)113(68-83(5)6)223-156(277)108(50-57-134(256)257)214-150(271)100(36-29-61-200-181(193)194)210-145(266)93(22)208-171(292)124-39-32-64-239(124)132(253)77-204-148(269)118(74-136(260)261)228-165(286)114(69-84(7)8)222-155(276)106(48-55-129(189)250)219-177(298)142(96(25)245)238-147(268)94(23)206-161(282)117(73-130(190)251)227-169(290)122(79-242)231-157(278)103(45-52-126(186)247)212-153(274)107(49-56-133(254)255)213-149(270)99(209-143(264)90(19)185)35-28-60-199-180(191)192/h41-44,81-96,99-125,138-142,241-246H,26-40,45-80,184-185H2,1-25H3,(H2,186,247)(H2,187,248)(H2,188,249)(H2,189,250)(H2,190,251)(H,203,265)(H,204,269)(H,205,281)(H,206,282)(H,207,289)(H,208,292)(H,209,264)(H,210,266)(H,211,283)(H,212,274)(H,213,270)(H,214,271)(H,215,273)(H,216,293)(H,217,294)(H,218,297)(H,219,298)(H,220,267)(H,221,275)(H,222,276)(H,223,277)(H,224,272)(H,225,285)(H,226,284)(H,227,290)(H,228,286)(H,229,295)(H,230,296)(H,231,278)(H,232,279)(H,233,287)(H,234,252)(H,235,280)(H,236,288)(H,237,291)(H,238,268)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,300,301)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t90-,91-,92-,93-,94-,95+,96+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,138-,139-,140-,141-,142-/m0/s1
InChIKey
VVYCCODTXZTDCZ-VTPLTZEHSA-N
Chemical Structure
2D Structure
2D structure of Copeptin (rat)
CAS: 86280-64-0
CID: 171920907
Formula: C183H307N57O61
MW: 4282
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4282
XLogP3-20.4
Hydrogen Bond Donor Count67
Hydrogen Bond Acceptor Count67
Rotatable Bond Count148
Exact Mass4280.2706496
Monoisotopic Mass4279.2672948
Topological Polar Surface Area1950 Ų
Heavy Atom Count301
Formal Charge0
Complexity10600
Isotope Atom Count0
Defined Atom Stereocenter Count39
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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