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Xenopsin precursor fragment

CAT: 0804-HY-P5696Size: 1 EachDry Ice: NoHazardous: No
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Description
Xenopsin precursor fragment is an antimicrobial peptide, and has antibacterial/antifungal (10-500 μg/mL) and anti-protozoal (MIC: 2-20 μg/mL) activity[1].
CAS Number
108460-66-8
UNSPSC
12352209
Target
Bacterial; Fungal; Parasite
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/xenopsin-precursor-fragment.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(NCC(N[C@@H](CCC(N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCC(N)=O)C(N3[C@@H](CCC3)C(N[C@@H](CCCCN)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CN
Molecular Formula
C123H211N33O32
Molecular Weight
2664.19
References & Citations
[1]Soravia E, et al. Antimicrobial properties of peptides from Xenopus granular gland secretions. FEBS Lett. 1988 Feb 15;228 (2) :337-40.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Xenopsin precursor fragment (xpf)
CAS Number108460-66-8
PubChem CID172652942
IUPAC Name(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
Molecular FormulaC123H211N33O32
Molecular Weight2664.2
XLogP-7.7
Topological Polar Surface Area1060
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count38
Rotatable Bond Count94
Heavy Atom Count188
Formal Charge0
Complexity5780
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CN
InChI
InChI=1S/C123H211N33O32/c1-18-68(12)99(152-110(174)80(39-26-31-51-127)144-115(179)89(63-157)150-104(168)71(15)136-112(176)88(140-93(161)58-129)57-74-59-132-76-35-22-21-34-75(74)76)118(182)135-61-95(163)139-81(42-45-91(130)159)111(175)155-102(73(17)158)121(185)149-85(54-64(4)5)105(169)133-60-94(162)138-77(36-23-28-48-124)108(172)153-100(69(13)19-2)119(183)137-72(16)103(167)142-79(38-25-30-50-126)109(173)151-98(67(10)11)117(181)134-62-96(164)141-86(55-65(6)7)113(177)143-78(37-24-29-49-125)106(170)145-82(44-47-97(165)166)107(171)148-87(56-66(8)9)114(178)154-101(70(14)20-3)120(184)146-83(43-46-92(131)160)122(186)156-53-33-41-90(156)116(180)147-84(123(187)188)40-27-32-52-128/h21-22,34-35,59,64-73,77-90,98-102,132,157-158H,18-20,23-33,36-58,60-63,124-129H2,1-17H3,(H2,130,159)(H2,131,160)(H,133,169)(H,134,181)(H,135,182)(H,136,176)(H,137,183)(H,138,162)(H,139,163)(H,140,161)(H,141,164)(H,142,167)(H,143,177)(H,144,179)(H,145,170)(H,146,184)(H,147,180)(H,148,171)(H,149,185)(H,150,168)(H,151,173)(H,152,174)(H,153,172)(H,154,178)(H,155,175)(H,165,166)(H,187,188)/t68-,69-,70-,71-,72-,73+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,98-,99-,100-,101-,102-/m0/s1
InChIKey
JMORVQKOPFUBNH-PRHKUGFBSA-N
Chemical Structure
2D Structure
2D structure of Xenopsin precursor fragment (xpf)
CAS: 108460-66-8
CID: 172652942
Formula: C123H211N33O32
MW: 2664.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2664.2
XLogP3-7.7
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count38
Rotatable Bond Count94
Exact Mass2663.5931465
Monoisotopic Mass2662.5897917
Topological Polar Surface Area1060 Ų
Heavy Atom Count188
Formal Charge0
Complexity5780
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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