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Ranalexin

CAT: 0931-T80091-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80091-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155761-99-2
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Ranalexin, an antimicrobial peptide, demonstrates inhibition of S. aureus, E. coli, and P. aeruginosa, with respective minimum inhibitory concentrations (MICs) of 4, 32, and 128 μg/mL [1].
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(CNC([C@@H](NC([C@H](CC1=CC=CC=C1)N)=O)CC(C)C)=O)=O)=O)CC(C)C)=O)[C@H](CC)C)=O)CCCCN)=O)[C@H](CC)C)=O)[C@@H](C)C)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]3C(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)C)C(=O)N[C@@]([C@@H](C)O)(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(O)=O)CSSC3)[H])=O)[C@H](CC)C)=O)CCSC)=O)C)=O)CCC2
Molecular Formula
C97H167N23O22S3
Molecular Weight
2103.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ranalexin

Ranalexin has been reported in Lithobates catesbeianus with data available.

CAS Number155761-99-2
PubChem CID16130484
IUPAC Name(4R,7S,10S,13S,16S,19S,22R)-22-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-7,10-bis(4-aminobutyl)-13-[(1R)-1-hydroxyethyl]-19-methyl-6,9,12,15,18,21-hexaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxylic acid
Molecular FormulaC97H167N23O22S3
Molecular Weight2103.7
XLogP1.4
Topological Polar Surface Area782
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count29
Rotatable Bond Count56
Heavy Atom Count145
Formal Charge0
Complexity4210
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C(C)C)[C@@H](C)O)CCCCN)CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C97H167N23O22S3/c1-19-55(12)76(118-88(132)68(45-52(6)7)106-73(123)48-102-72(122)47-103-83(127)67(44-51(4)5)111-82(126)62(101)46-61-32-23-22-24-33-61)92(136)109-65(36-27-30-41-100)86(130)117-78(57(14)21-3)94(138)115-75(54(10)11)96(140)120-42-31-37-71(120)90(134)105-58(15)80(124)107-66(38-43-143-18)87(131)116-77(56(13)20-2)93(137)112-69-49-144-145-50-70(97(141)142)113-85(129)63(34-25-28-39-98)108-84(128)64(35-26-29-40-99)110-95(139)79(60(17)121)119-91(135)74(53(8)9)114-81(125)59(16)104-89(69)133/h22-24,32-33,51-60,62-71,74-79,121H,19-21,25-31,34-50,98-101H2,1-18H3,(H,102,122)(H,103,127)(H,104,133)(H,105,134)(H,106,123)(H,107,124)(H,108,128)(H,109,136)(H,110,139)(H,111,126)(H,112,137)(H,113,129)(H,114,125)(H,115,138)(H,116,131)(H,117,130)(H,118,132)(H,119,135)(H,141,142)/t55-,56-,57-,58-,59-,60+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,74-,75-,76-,77-,78-,79-/m0/s1
InChIKey
NSOITZIGPJTCMQ-KCXFZFQESA-N
Chemical Structure
2D Structure
2D structure of Ranalexin
CAS: 155761-99-2
CID: 16130484
Formula: C97H167N23O22S3
MW: 2103.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2103.7
XLogP31.4
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count29
Rotatable Bond Count56
Exact Mass2103.1851724
Monoisotopic Mass2102.1818176
Topological Polar Surface Area782 Ų
Heavy Atom Count145
Formal Charge0
Complexity4210
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
H-1612.0500Ranalexin
MBS1155003-01Recombinant Lithobates catesbeiana Ranalexin
MBS1131090-01Recombinant Rana clamitans Ranalexin-1Cb
MBS1171493-01Recombinant Rana clamitans Ranalexin-1Ca

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