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Urocortin III, mouse

CAT: 1410-M30348Size: 1 EachDry Ice: NoHazardous: No
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Description
Mouse UcnIII is expressed predominantly in regions of the brain known to be involved in stress-related behaviours, and its expression in the hypothalamus increases following restraint.
CAS Number
357952-10-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
4172.97
Molecular Formula
C186H312N52O52S2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Urocortin III, mouse
CAS Number357952-10-4
PubChem CID163325353
IUPAC Name(3S)-4-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC186H312N52O52S2
Molecular Weight4173
XLogP-13.2
Topological Polar Surface Area1760
Hydrogen Bond Donor Count56
Hydrogen Bond Acceptor Count59
Rotatable Bond Count143
Heavy Atom Count292
Formal Charge0
Complexity10000
SMILES
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C186H312N52O52S2/c1-32-93(17)142(148(198)253)232-164(269)114(60-62-133(192)243)212-153(258)102(26)207-160(265)115(63-70-291-30)215-167(272)117(72-87(5)6)218-162(267)113(59-61-132(191)242)211-154(259)103(27)208-165(270)123(79-134(193)244)217-155(260)99(23)203-149(254)97(21)202-150(255)98(22)204-157(262)109(54-42-45-65-187)209-151(256)100(24)206-159(264)112(57-48-68-201-186(199)200)214-166(271)118(73-88(7)8)219-172(277)124(80-135(194)245)222-161(266)111(56-44-47-67-189)210-152(257)101(25)205-158(263)110(55-43-46-66-188)213-173(278)128(84-139(249)250)229-182(287)145(96(20)35-4)235-175(280)126(82-137(196)247)224-171(276)122(78-107-52-40-37-41-53-107)221-169(274)120(75-90(11)12)226-181(286)144(95(19)34-3)234-174(279)125(81-136(195)246)223-163(268)116(64-71-292-31)216-180(285)143(94(18)33-2)233-176(281)127(83-138(197)248)228-184(289)147(105(29)241)237-179(284)131-58-49-69-238(131)185(290)141(92(15)16)231-177(282)129(85-140(251)252)225-168(273)119(74-89(9)10)220-178(283)130(86-239)230-170(275)121(76-91(13)14)227-183(288)146(104(28)240)236-156(261)108(190)77-106-50-38-36-39-51-106/h36-41,50-53,87-105,108-131,141-147,239-241H,32-35,42-49,54-86,187-190H2,1-31H3,(H2,191,242)(H2,192,243)(H2,193,244)(H2,194,245)(H2,195,246)(H2,196,247)(H2,197,248)(H2,198,253)(H,202,255)(H,203,254)(H,204,262)(H,205,263)(H,206,264)(H,207,265)(H,208,270)(H,209,256)(H,210,257)(H,211,259)(H,212,258)(H,213,278)(H,214,271)(H,215,272)(H,216,285)(H,217,260)(H,218,267)(H,219,277)(H,220,283)(H,221,274)(H,222,266)(H,223,268)(H,224,276)(H,225,273)(H,226,286)(H,227,288)(H,228,289)(H,229,287)(H,230,275)(H,231,282)(H,232,269)(H,233,281)(H,234,279)(H,235,280)(H,236,261)(H,237,284)(H,249,250)(H,251,252)(H4,199,200,201)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-,144-,145-,146-,147-/m0/s1
InChIKey
YLBOWOOWAXYVEU-HGEDMELPSA-N
Chemical Structure
2D Structure
2D structure of Urocortin III, mouse
CAS: 357952-10-4
CID: 163325353
Formula: C186H312N52O52S2
MW: 4173
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4173
XLogP3-13.2
Hydrogen Bond Donor Count56
Hydrogen Bond Acceptor Count59
Rotatable Bond Count143
Exact Mass4171.2843156
Monoisotopic Mass4170.2809607
Topological Polar Surface Area1760 Ų
Heavy Atom Count292
Formal Charge0
Complexity10000
Isotope Atom Count0
Defined Atom Stereocenter Count44
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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