Products for Research Use Only
RegisterLogin

Xenin 1mg

CAT: 0628-A23892-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A23892-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
144092-28-4

Chemical Information

Xenin 25

25 amino acid peptide having 6 C-terminal amino acids in common with amphibian xenopsin; amino acid sequence given in first source

CAS Number144092-28-4
PubChem CID16131039
IUPAC Name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC139H224N38O32S
Molecular Weight2971.6
XLogP-6
Topological Polar Surface Area1160
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count41
Rotatable Bond Count100
Heavy Atom Count210
Formal Charge0
Complexity6510
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C139H224N38O32S/c1-15-79(10)111(132(203)169-103(137(208)209)64-77(6)7)173-126(197)101(67-85-69-152-89-41-23-22-40-87(85)89)167-130(201)107-49-34-59-176(107)135(206)96(47-33-58-151-139(147)148)163-117(188)91(43-25-29-54-141)159-129(200)106-48-35-60-177(106)136(207)102(68-86-70-149-74-154-86)168-124(195)100(66-84-38-20-17-21-39-84)166-128(199)105(73-179)171-122(193)97(62-75(2)3)156-108(182)71-153-116(187)90(42-24-28-53-140)160-131(202)110(78(8)9)172-120(191)94(46-32-57-150-138(145)146)157-114(185)80(11)155-127(198)104(72-178)170-119(190)93(45-27-31-56-143)162-133(204)112(81(12)180)174-121(192)95(50-51-109(183)184)158-123(194)99(65-83-36-18-16-19-37-83)165-118(189)92(44-26-30-55-142)161-134(205)113(82(13)181)175-125(196)98(63-76(4)5)164-115(186)88(144)52-61-210-14/h16-23,36-41,69-70,74-82,88,90-107,110-113,152,178-181H,15,24-35,42-68,71-73,140-144H2,1-14H3,(H,149,154)(H,153,187)(H,155,198)(H,156,182)(H,157,185)(H,158,194)(H,159,200)(H,160,202)(H,161,205)(H,162,204)(H,163,188)(H,164,186)(H,165,189)(H,166,199)(H,167,201)(H,168,195)(H,169,203)(H,170,190)(H,171,193)(H,172,191)(H,173,197)(H,174,192)(H,175,196)(H,183,184)(H,208,209)(H4,145,146,150)(H4,147,148,151)/t79-,80-,81+,82+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-,113-/m0/s1
InChIKey
IDHVLSACPFUBDY-QCDLPZBNSA-N
Chemical Structure
2D Structure
2D structure of Xenin 25
CAS: 144092-28-4
CID: 16131039
Formula: C139H224N38O32S
MW: 2971.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2971.6
XLogP3-6
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count41
Rotatable Bond Count100
Exact Mass2970.6823131
Monoisotopic Mass2969.6789583
Topological Polar Surface Area1160 Ų
Heavy Atom Count210
Formal Charge0
Complexity6510
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

Related Products

CatalogName
A23892-5Xenin 5mg
A23892-10Xenin 10mg
A23892-0.5Xenin 0.5mg
A24498-1CST626 1mg
A24549-1Hinokiflavone 1mg
A24541-1AZD4625 1mg
A24529-1AMG410 1mg
A14404-1Molidustat 1mg
A14394-1AMG232 1mg
A14374-1GSK591 1mg

Alternative Products

CatalogName
MBS5763844Xenin
X1013-01AXenin 25 (Xenin, Xenopsin-related Peptide)
HY-P1257Xenin-8
MBS405764-01Xenin-25
abx266908-01Xenin Peptide
4031355.1000Xenin 25

Popular Products