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ToAP2

CAT: 0931-TP3266-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3266-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2659258-28-1
Target
Antifungal, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
ToAP2 is an effective antimicrobial peptide that affects the membrane permeability of C. albicans and alters the morphology of fungal cells.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@@H](NC(CNC([C@H](CC2=CC=CC=C2)NC([C@H](CC3=CC=CC=C3)N)=O)=O)=O)[C@@H](C)O)=O)CC(C)C)=O)=O)CCCCN)=O)CC(C)C)=O)=O)CO)=O)CCCCN)=O)CC(C)C)=O)[C@H](CC)C)(=O)N4[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC5=CC=CC=C5)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)CCC(O)=O)=O)CCCCN)=O)CCCCN)=O)CCCCN)=O)CO)=O)=O)CC(C)C)=O)CCCCN)=O)CCSC)=O)[C@@H](C)C)=O)=O)CCC4
Molecular Formula
C144H235N35O32S
Molecular Weight
3000.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Phe-Phe-Gly-Thr-Leu-Phe-Lys-Leu-Gly-Ser-Lys-Leu-Ile-Pro-Gly-Val-Met-Lys-Leu-Phe-Ser-Lys-Lys-Lys-Glu-Arg-OH
CAS Number2659258-28-1
PubChem CID177746384
IUPAC Name(4S)-4-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-5-oxopentanoic acid
Molecular FormulaC144H235N35O32S
Molecular Weight3000.7
XLogP-3.4
Topological Polar Surface Area1120
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count41
Rotatable Bond Count107
Heavy Atom Count212
Formal Charge0
Complexity6370
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)N
InChI
InChI=1S/C144H235N35O32S/c1-15-88(12)119(178-136(203)107(73-86(8)9)171-129(196)100(55-33-39-66-150)163-137(204)111(81-180)158-114(183)78-155-122(189)104(70-83(2)3)169-127(194)99(54-32-38-65-149)162-134(201)109(76-92-46-24-18-25-47-92)172-133(200)106(72-85(6)7)174-141(208)120(89(13)182)177-116(185)79-156-123(190)108(75-91-44-22-17-23-45-91)168-121(188)94(151)74-90-42-20-16-21-43-90)142(209)179-68-41-57-113(179)139(206)157-80-115(184)176-118(87(10)11)140(207)166-102(60-69-212-14)131(198)161-98(53-31-37-64-148)128(195)170-105(71-84(4)5)132(199)173-110(77-93-48-26-19-27-49-93)135(202)175-112(82-181)138(205)164-97(52-30-36-63-147)125(192)159-95(50-28-34-61-145)124(191)160-96(51-29-35-62-146)126(193)165-101(58-59-117(186)187)130(197)167-103(143(210)211)56-40-67-154-144(152)153/h16-27,42-49,83-89,94-113,118-120,180-182H,15,28-41,50-82,145-151H2,1-14H3,(H,155,189)(H,156,190)(H,157,206)(H,158,183)(H,159,192)(H,160,191)(H,161,198)(H,162,201)(H,163,204)(H,164,205)(H,165,193)(H,166,207)(H,167,197)(H,168,188)(H,169,194)(H,170,195)(H,171,196)(H,172,200)(H,173,199)(H,174,208)(H,175,202)(H,176,184)(H,177,185)(H,178,203)(H,186,187)(H,210,211)(H4,152,153,154)/t88-,89+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,118-,119-,120-/m0/s1
InChIKey
ABUWPCBCOUGXJJ-OJIUFIBRSA-N
Chemical Structure
2D Structure
2D structure of H-Phe-Phe-Gly-Thr-Leu-Phe-Lys-Leu-Gly-Ser-Lys-Leu-Ile-Pro-Gly-Val-Met-Lys-Leu-Phe-Ser-Lys-Lys-Lys-Glu-Arg-OH
CAS: 2659258-28-1
CID: 177746384
Formula: C144H235N35O32S
MW: 3000.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3000.7
XLogP3-3.4
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count41
Rotatable Bond Count107
Exact Mass2999.7591665
Monoisotopic Mass2998.7558116
Topological Polar Surface Area1120 Ų
Heavy Atom Count212
Formal Charge0
Complexity6370
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

Alternative Products

CatalogName
HY-P11021ToAP2
GTR19133731-01ToAP2 TFA
HY-P11021AToAP2 (TFA)

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