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Distinctin

CAT: 0931-T80371-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80371-01Size:5 mg
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CAS Number
857394-09-3
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Distinctin, an antimicrobial peptide derived from frog skin, exhibits antibacterial activity against a range of pathogens including E. faecalis, P. aeruginosa, S. aureus, and E. coli, with minimum inhibitory concentration (MIC) values of 14.5, 28.0, 28.0, and 14.5 μM, respectively [1].
Smiles
[C@H](CC1=CC=C(O)C=C1)(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC2=CN=CN2)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]([C@@H](C)C)C(O)=O)=O)CCCCN)=O)CS)=O)CC(N)=O)=O)CCCCN)=O)CC(C)C)=O)CCCCN)=O)CCCNC(=N)N)=O)=O)CC(C)C)=O)CCC(N)=O)=O)CCC(O)=O)=O)CC(C)C)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(N)=O)N)=O)CC(C)C)=O)C(C)C)=O)CO)=O)=O)CC(C)C)=O)[C@H](CC)C)=O)CCC(O)=O)=O)C)=O)CCCNC(=N)N)=O)CCCCN)=O
Molecular Formula
C131H226N40O35S
Molecular Weight
2953.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Distinctin
CAS Number857394-09-3
PubChem CID172652941
IUPAC Name(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2R)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC131H226N40O35S
Molecular Weight2953.5
XLogP-12.1
Topological Polar Surface Area1260
Hydrogen Bond Donor Count45
Hydrogen Bond Acceptor Count44
Rotatable Bond Count108
Heavy Atom Count207
Formal Charge0
Complexity6480
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C131H226N40O35S/c1-18-72(16)105(171-124(200)87(51-65(2)3)150-100(177)61-147-108(184)95(62-172)167-127(203)103(70(12)13)169-125(201)91(55-69(10)11)160-107(183)77(136)58-98(138)175)128(204)159-85(40-43-101(178)179)109(185)149-73(17)106(182)151-82(33-27-49-145-130(140)141)110(186)152-79(30-20-24-46-133)113(189)164-92(56-74-35-37-76(173)38-36-74)121(197)163-89(53-67(6)7)119(195)158-86(41-44-102(180)181)115(191)157-84(39-42-97(137)174)116(192)162-90(54-68(8)9)120(196)165-93(57-75-60-144-64-148-75)122(198)155-83(34-28-50-146-131(142)143)111(187)153-78(29-19-23-45-132)112(188)161-88(52-66(4)5)118(194)154-80(31-21-25-47-134)114(190)166-94(59-99(139)176)123(199)168-96(63-207)126(202)156-81(32-22-26-48-135)117(193)170-104(71(14)15)129(205)206/h35-38,60,64-73,77-96,103-105,172-173,207H,18-34,39-59,61-63,132-136H2,1-17H3,(H2,137,174)(H2,138,175)(H2,139,176)(H,144,148)(H,147,184)(H,149,185)(H,150,177)(H,151,182)(H,152,186)(H,153,187)(H,154,194)(H,155,198)(H,156,202)(H,157,191)(H,158,195)(H,159,204)(H,160,183)(H,161,188)(H,162,192)(H,163,197)(H,164,189)(H,165,196)(H,166,190)(H,167,203)(H,168,199)(H,169,201)(H,170,193)(H,171,200)(H,178,179)(H,180,181)(H,205,206)(H4,140,141,145)(H4,142,143,146)/t72-,73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-/m0/s1
InChIKey
FHKVFLCHZQLQLT-YZLIIYFMSA-N
Chemical Structure
2D Structure
2D structure of Distinctin
CAS: 857394-09-3
CID: 172652941
Formula: C131H226N40O35S
MW: 2953.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2953.5
XLogP3-12.1
Hydrogen Bond Donor Count45
Hydrogen Bond Acceptor Count44
Rotatable Bond Count108
Exact Mass2952.6888551
Monoisotopic Mass2951.6855002
Topological Polar Surface Area1260 Ų
Heavy Atom Count207
Formal Charge0
Complexity6480
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-P5690Distinctin
MBS7074468-01Recombinant Phyllomedusa azurea Distinctin-like peptide (ppdis-H1)

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