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T-22

CAT: 0931-TP2933-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2933-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147658-54-6
Target
HIV Protease, Virus Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
T-22 ([Tyr5,12, Lys7]-Polyphemusin II) is a novel anti-HIV synthetic peptide with an EC50 of 0.008 μg/mL and a CC50 of 54 μg/mL. In addition to its antiviral properties, T-22 enhances tomato plant height, photosynthesis, total chlorophyll content, and overall plant gas exchange, and it exhibits resistance to CMV.
Smiles
C([C@@H](C(N[C@@H]1C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]3(C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@@](CSSC3)(C(=O)N[C@@H](CC6=CC=C(O)C=C6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)CSSC1)[H])[H])=O)NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CCCNC(=N)N)=O)C=7C=8C(NC7)=CC=CC8
Molecular Formula
C109H164N38O22S4
Molecular Weight
2486.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Arg-Arg-Trp-Cys(1)-Tyr-Arg-Lys-Cys(2)-Tyr-Lys-Gly-Tyr-Cys(2)-Tyr-Arg-Lys-Cys(1)-Arg-NH2
CAS Number147658-54-6
PubChem CID16197316
IUPAC Name(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,33S,39S,42S)-4,21,39-tris(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-13-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-7,24-bis(3-carbamimidamidopropyl)-10,27,33,42-tetrakis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecazabicyclo[28.14.4]octatetracontane-18-carboxamide
Molecular FormulaC109H164N38O22S4
Molecular Weight2487.0
XLogP-4.8
Topological Polar Surface Area1150
Hydrogen Bond Donor Count42
Hydrogen Bond Acceptor Count35
Rotatable Bond Count56
Heavy Atom Count173
Formal Charge0
Complexity5190
SMILES
C1[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSS1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)CCCCN)CC8=CC=C(C=C8)O
InChI
InChI=1S/C109H164N38O22S4/c110-40-6-3-17-72-90(155)131-54-87(152)132-78(48-59-24-32-64(148)33-25-59)96(161)146-85-57-172-171-56-84(102(167)140-79(97(162)135-72)49-60-26-34-65(149)35-27-60)145-95(160)74(19-5-8-42-112)137-92(157)77(23-13-47-129-109(123)124)139-99(164)81(51-62-30-38-67(151)39-31-62)142-104(169)86(147-100(165)82(52-63-53-130-70-16-2-1-14-68(63)70)143-93(158)75(21-11-45-127-107(119)120)134-89(154)69(113)15-9-43-125-105(115)116)58-173-170-55-83(101(166)133-71(88(114)153)20-10-44-126-106(117)118)144-94(159)73(18-4-7-41-111)136-91(156)76(22-12-46-128-108(121)122)138-98(163)80(141-103(85)168)50-61-28-36-66(150)37-29-61/h1-2,14,16,24-39,53,69,71-86,130,148-151H,3-13,15,17-23,40-52,54-58,110-113H2,(H2,114,153)(H,131,155)(H,132,152)(H,133,166)(H,134,154)(H,135,162)(H,136,156)(H,137,157)(H,138,163)(H,139,164)(H,140,167)(H,141,168)(H,142,169)(H,143,158)(H,144,159)(H,145,160)(H,146,161)(H,147,165)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1
InChIKey
MJULKHZUJYASFR-FQPMSUGVSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Arg-Trp-Cys(1)-Tyr-Arg-Lys-Cys(2)-Tyr-Lys-Gly-Tyr-Cys(2)-Tyr-Arg-Lys-Cys(1)-Arg-NH2
CAS: 147658-54-6
CID: 16197316
Formula: C109H164N38O22S4
MW: 2487.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2487.0
XLogP3-4.8
Hydrogen Bond Donor Count42
Hydrogen Bond Acceptor Count35
Rotatable Bond Count56
Exact Mass2486.1798785
Monoisotopic Mass2485.1765237
Topological Polar Surface Area1150 Ų
Heavy Atom Count173
Formal Charge0
Complexity5190
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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