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P9R

CAT: 0931-TP3824-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3824-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2484874-12-4
Target
SARS-CoV, Influenza Virus, Virus Protease
Related Pathways
Microbiology/Virology
Bioactivity
P9R is an antiviral peptide with broad-spectrum activity against coronaviruses (SARS-CoV-2, MERS-CoV, and SARS-CoV), influenza A H1N1 virus (A (H1N1) pdm09), influenza A H7N9 virus (A (H7N9) virus), and rhinovirus. It binds directly to viruses and inhibits virus-host endosomal acidification. P9R significantly protects mice from infection by influenza A H1N1 virus (A (H1N1) pdm09) without leading to resistant viruses. P9R is applicable in studying pH-dependent respiratory viruses.
Smiles
C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@H](CC(N)=O)N)=O)=O)C)=O)[C@H](CC)C)=O)CS)=O)C(NCC(=O)N1[C@H](C(N[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC4=CC=CC=C4)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](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)[C@H](CC)C)=O)CCCNC(=N)N)=O)CS)=O)CS)=O)CCCNC(=N)N)=O)C(C)C)=O)CCCNC(=N)N)=O)=O)CCCNC(=N)N)=O)=O)CS)=O)CC(N)=O)=O)=O)[C@H](CC)C)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)=O)C)=O)[C@@H](C)O)=O)CCC2)CS)=O)CCC1)=O)C=5C=6C(NC5)=CC=CC6
Molecular Formula
C144H232N52O35S5
Molecular Weight
3412.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Asn-Gly-Ala-Ile-Cys-Trp-Gly-Pro-Cys-Pro-Thr-Ala-Phe-Arg-Gln-Ile-Gly-Asn-Cys-Gly-Arg-Phe-Arg-Val-Arg-Cys-Cys-Arg-Ile-Arg-OH
CAS Number2484874-12-4
PubChem CID172871945
IUPAC Name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-4-amino-2-[[2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC144H232N52O35S5
Molecular Weight3412.0
XLogP-11.7
Topological Polar Surface Area1430
Hydrogen Bond Donor Count57
Hydrogen Bond Acceptor Count47
Rotatable Bond Count113
Heavy Atom Count236
Formal Charge0
Complexity7900
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C144H232N52O35S5/c1-12-71(6)109(192-123(215)88(45-46-101(146)198)179-119(211)84(38-24-48-162-140(151)152)176-124(216)90(55-77-31-17-15-18-32-77)182-113(205)75(10)173-136(228)112(76(11)197)194-131(223)100-44-30-54-196(100)137(229)98(69-236)189-130(222)99-43-29-53-195(99)107(204)64-171-116(208)92(57-79-60-167-82-36-22-21-35-80(79)82)184-128(220)97(68-235)188-135(227)110(72(7)13-2)191-114(206)74(9)172-104(201)61-168-115(207)81(145)58-102(147)199)132(224)170-63-106(203)175-93(59-103(148)200)126(218)185-94(65-232)117(209)169-62-105(202)174-83(37-23-47-161-139(149)150)118(210)183-91(56-78-33-19-16-20-34-78)125(217)177-86(40-26-50-164-142(155)156)121(213)190-108(70(4)5)133(225)180-85(39-25-49-163-141(153)154)120(212)186-96(67-234)129(221)187-95(66-233)127(219)178-87(41-27-51-165-143(157)158)122(214)193-111(73(8)14-3)134(226)181-89(138(230)231)42-28-52-166-144(159)160/h15-22,31-36,60,70-76,81,83-100,108-112,167,197,232-236H,12-14,23-30,37-59,61-69,145H2,1-11H3,(H2,146,198)(H2,147,199)(H2,148,200)(H,168,207)(H,169,209)(H,170,224)(H,171,208)(H,172,201)(H,173,228)(H,174,202)(H,175,203)(H,176,216)(H,177,217)(H,178,219)(H,179,211)(H,180,225)(H,181,226)(H,182,205)(H,183,210)(H,184,220)(H,185,218)(H,186,212)(H,187,221)(H,188,227)(H,189,222)(H,190,213)(H,191,206)(H,192,215)(H,193,214)(H,194,223)(H,230,231)(H4,149,150,161)(H4,151,152,162)(H4,153,154,163)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)/t71-,72-,73-,74-,75-,76+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-,109-,110-,111-,112-/m0/s1
InChIKey
YTHRJSCENFJOMA-TVEAGNICSA-N
Chemical Structure
2D Structure
2D structure of H-Asn-Gly-Ala-Ile-Cys-Trp-Gly-Pro-Cys-Pro-Thr-Ala-Phe-Arg-Gln-Ile-Gly-Asn-Cys-Gly-Arg-Phe-Arg-Val-Arg-Cys-Cys-Arg-Ile-Arg-OH
CAS: 2484874-12-4
CID: 172871945
Formula: C144H232N52O35S5
MW: 3412.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3412.0
XLogP3-11.7
Hydrogen Bond Donor Count57
Hydrogen Bond Acceptor Count47
Rotatable Bond Count113
Exact Mass3410.6609780
Monoisotopic Mass3409.6576232
Topological Polar Surface Area1430 Ų
Heavy Atom Count236
Formal Charge0
Complexity7900
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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