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Nocistatin (bovine)

CAT: 0931-TP2276Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2276Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
208253-85-4
Target
Others
Related Pathways
Others
Bioactivity
Endogenous peptide used to block nociceptin-induced allodynia and hyperalgesia
Smiles
C([C@@H](NC([C@H]([C@@H](C)O)N)=O)CCC(O)=O)(=O)N1[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(O)=O)=O)CC(C)C)=O)CCC(N)=O)=O)CCCCN)=O)CCC(N)=O)=O)CCC(O)=O)=O)[C@H](CC)C)=O)CCC(O)=O)=O)=O)[C@H](C)C)=O)CCC(O)=O)=O)CCC(O)=O)=O)CC(C)C)=O)=O)CCC1
Molecular Formula
C82H135N21O32
Molecular Weight
1927.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nocistatin (bovine)
CAS Number208253-85-4
PubChem CID24868191
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC82H135N21O32
Molecular Weight1927.1
XLogP-11.8
Topological Polar Surface Area882
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count34
Rotatable Bond Count68
Heavy Atom Count135
Formal Charge0
Complexity4170
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)N
InChI
InChI=1S/C82H135N21O32/c1-10-41(8)67(80(132)97-48(21-29-62(114)115)71(123)94-45(16-24-55(84)105)69(121)92-43(14-11-12-32-83)68(120)93-46(17-25-56(85)106)72(124)100-53(35-39(4)5)76(128)99-51(82(134)135)18-26-57(86)107)102-73(125)44(19-27-60(110)111)90-58(108)37-89-79(131)66(40(6)7)101-74(126)49(22-30-63(116)117)95-70(122)47(20-28-61(112)113)96-75(127)52(34-38(2)3)91-59(109)36-88-77(129)54-15-13-33-103(54)81(133)50(23-31-64(118)119)98-78(130)65(87)42(9)104/h38-54,65-67,104H,10-37,83,87H2,1-9H3,(H2,84,105)(H2,85,106)(H2,86,107)(H,88,129)(H,89,131)(H,90,108)(H,91,109)(H,92,121)(H,93,120)(H,94,123)(H,95,122)(H,96,127)(H,97,132)(H,98,130)(H,99,128)(H,100,124)(H,101,126)(H,102,125)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,134,135)/t41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,65-,66-,67-/m0/s1
InChIKey
GUPWDFZVRDNEEX-GFTPUIGSSA-N
Chemical Structure
2D Structure
2D structure of Nocistatin (bovine)
CAS: 208253-85-4
CID: 24868191
Formula: C82H135N21O32
MW: 1927.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1927.1
XLogP3-11.8
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count34
Rotatable Bond Count68
Exact Mass1925.9582012
Monoisotopic Mass1925.9582012
Topological Polar Surface Area882 Ų
Heavy Atom Count135
Formal Charge0
Complexity4170
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B5052-1Nocistatin (bovine)
FN109237-01Nocistatin (bovine) trifluoroacetate salt
021-77[Tyr0]-Nocistatin / [Tyr0]-PNP-3 (Bovine)
021-75Prepro-Orphanin FQ (111-127) / Nocistatin / PNP-3 (Bovine)
T-021-77[Tyr0]-Nocistatin / [Tyr0]-PNP-3 (Bovine) - I-125 Labeled
021-79[Lys14-E- (Tyr) ]-Nocistatin / [Lys14-E- (Tyr) ]-PNP-3 (Bovine)
T-021-75Prepro-Orphanin FQ (111-127) / Nocistatin / PNP-3 (Bovine) - I-125 Labeled
T-021-79[Lys14-E- (Tyr) ]-Nocistatin / [Lys14-E- (Tyr) ]-PNP-3 (Bovine) - I-125 Labeled
5-01638Nocistatin
B5081-1Nocistatin (human)

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