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Neuropeptide W-30 (human)

CAT: 1410-M41450Size: 1 EachDry Ice: NoHazardous: No
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Description
Neuropeptide W-30 (human) is an important stress mediator in the central nervous system that modulates the hypothalamus-pituitary-adrenal (HPA) axis and sympathetic outflow. Neuropeptide W-30 (human) is an endogenous ligand for the two structurally related orphan G-protein-coupled receptors (GPCRs) GPR7 and GPR8.
CAS Number
383415-80-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
3543.17
Molecular Formula
C165H249N49O37S
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Neuropeptide W-30 (human) trifluoroacetate salt
CAS Number383415-80-3
PubChem CID16200912
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC165H249N49O37S
Molecular Weight3543.1
XLogP-2.7
Topological Polar Surface Area1400
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count46
Rotatable Bond Count111
Heavy Atom Count252
Formal Charge0
Complexity8250
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)O
InChI
InChI=1S/C165H249N49O37S/c1-84(2)62-115(145(234)197-111(36-25-56-179-163(170)171)141(230)195-112(37-26-57-180-164(172)173)144(233)209-126(81-216)160(249)214-60-29-40-128(214)155(244)206-121(68-96-45-51-103(220)52-46-96)151(240)202-118(65-87(7)8)148(237)207-124(161(250)251)70-98-74-183-108-33-21-19-31-105(98)108)193-131(223)78-185-139(228)114(53-61-252-17)198-147(236)117(64-86(5)6)201-146(235)116(63-85(3)4)194-130(222)77-184-135(224)90(13)189-136(225)91(14)190-140(229)109(35-24-55-178-162(168)169)192-129(221)79-186-156(245)132(88(9)10)211-158(247)134(93(16)217)212-153(242)123(72-100-76-177-83-188-100)205-150(239)120(67-95-43-49-102(219)50-44-95)203-143(232)113(38-27-58-181-165(174)175)199-154(243)127-39-28-59-213(127)159(248)125(80-215)208-137(226)92(15)191-157(246)133(89(11)12)210-152(241)122(71-99-75-176-82-187-99)204-142(231)110(34-22-23-54-166)196-149(238)119(66-94-41-47-101(218)48-42-94)200-138(227)106(167)69-97-73-182-107-32-20-18-30-104(97)107/h18-21,30-33,41-52,73-76,82-93,106,109-128,132-134,182-183,215-220H,22-29,34-40,53-72,77-81,166-167H2,1-17H3,(H,176,187)(H,177,188)(H,184,224)(H,185,228)(H,186,245)(H,189,225)(H,190,229)(H,191,246)(H,192,221)(H,193,223)(H,194,222)(H,195,230)(H,196,238)(H,197,234)(H,198,236)(H,199,243)(H,200,227)(H,201,235)(H,202,240)(H,203,232)(H,204,231)(H,205,239)(H,206,244)(H,207,237)(H,208,226)(H,209,233)(H,210,241)(H,211,247)(H,212,242)(H,250,251)(H4,168,169,178)(H4,170,171,179)(H4,172,173,180)(H4,174,175,181)/t90-,91-,92-,93+,106-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,132-,133-,134-/m0/s1
InChIKey
SMDFMLJUIAXUPK-LQTGAOIKSA-N
Chemical Structure
2D Structure
2D structure of Neuropeptide W-30 (human) trifluoroacetate salt
CAS: 383415-80-3
CID: 16200912
Formula: C165H249N49O37S
MW: 3543.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3543.1
XLogP3-2.7
Hydrogen Bond Donor Count52
Hydrogen Bond Acceptor Count46
Rotatable Bond Count111
Exact Mass3541.8863261
Monoisotopic Mass3540.8829712
Topological Polar Surface Area1400 Ų
Heavy Atom Count252
Formal Charge0
Complexity8250
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M41457Neuropeptide W-30 (rat)
M29772-01Neuropeptide W-23 (human)
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M30618Neuropeptide S (human)
M39936-01Neuropeptide SF (human)
M40616Neuropeptide S (human) (TFA)
M30292Neuropeptide S (human) (TFA)
M41453Neuropeptide AF (hNPAF), Human
M41465[Thr30]-Neuropeptide Y, human
M41468Neuropeptide F

Alternative Products

CatalogName
MBS8246823-01Neuropeptide W-30 (Human)
E-PP-1609-01Neuropeptide W-30, human
005-63Neuropeptide W-30 / L8C (Human)
302088Neuropeptide W-30, Human (NPW-30, L8C)
FN109734-01Neuropeptide W-30 (human) trifluoroacetate salt
FG-005-63ANeuropeptide W-30 / L8C (Human) - FAM Labeled
FR-005-63Neuropeptide W-30 / L8C (Human) - Rhodamine Labeled
T-005-63Neuropeptide W-30 / L8C (Human) - I-125 Labeled
H-5908.0005Neuropeptide W-23 (human)
MBS3612198-01Neuropeptide W-23(human)

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