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Efrapeptin F

CAT: 0013-GTR19208400-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208400-02Size:100 mg
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Description
Efrapeptin F is a fungal metabolite from Tolypocladium species that inhibits mitochondrial ATP synthase (Complex V) . It demonstrates selective toxicity against nutrient-deprived tumor cells in vitro, making it a valuable tool for studying cancer metabolism, tumor microenvironment stress responses, and mitochondrial function.
CAS Number
131353-66-7
Smiles
C ([C@@H] (NC ([C@@] (NC ([C@@H] (NC ([C@@H] (NC (C (NC (=O) [C@H]1N (C (C (NC (C (NC (CNC (CCNC ([C@@H] (NC (C (NC (C (NC (=O) [C@H]2N (C (C (NC (=O) [C@H]3N (C (C) =O) CCCC3) (C) C) =O) CCCC2) (C) C) =O) (C) C) =O) CC (C) C) =O) =O) =O) (C) C) =O) (C) C) =O) CCCC1) (C) C) =O) C) =O) CC (C) C) =O) (CC) C) =O) CC (C) C) [N+]4=C5N (CCC5) CCC4
Molecular Formula
C82H141N18O16
Molecular Weight
1635.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Efrapeptin F

Efrapeptin F is a peptide.

CAS Number131353-66-7
PubChem CID3081780
IUPAC Name(2S)-1-acetyl-N-[1-[(2S)-2-[[1-[[1-[[(2S)-1-[[3-[[2-[[1-[[1-[(2S)-2-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium-1-yl)-4-methylpentan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]piperidine-2-carboxamide
Molecular FormulaC82H141N18O16+
Molecular Weight1635.1
XLogP2.5
Topological Polar Surface Area445
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count38
Heavy Atom Count116
Formal Charge1
Complexity3640
SMILES
CC[C@@](C)(C(=O)N[C@@H](CC(C)C)CN1CCC[N+]2=C1CCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]3CCCCN3C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H]4CCCCN4C(=O)C(C)(C)NC(=O)[C@@H]5CCCCN5C(=O)C
InChI
InChI=1S/C82H140N18O16/c1-23-82(22,73(114)86-54(44-49(2)3)48-97-40-31-39-96-38-30-35-62(96)97)93-65(106)56(46-51(6)7)87-63(104)52(8)85-69(110)76(10,11)90-67(108)58-33-26-29-43-100(58)75(116)81(20,21)95-71(112)78(14,15)89-61(103)47-84-60(102)36-37-83-64(105)55(45-50(4)5)88-70(111)77(12,13)94-72(113)79(16,17)91-68(109)59-34-25-28-42-99(59)74(115)80(18,19)92-66(107)57-32-24-27-41-98(57)53(9)101/h49-52,54-59H,23-48H2,1-22H3,(H12-,83,84,85,86,87,88,89,90,91,92,93,94,95,102,103,104,105,106,107,108,109,110,111,112,113,114)/p+1/t52-,54-,55-,56-,57-,58-,59-,82-/m0/s1
InChIKey
HAOHIZZZBGXUNW-TYMATEDWSA-O
Chemical Structure
2D Structure
2D structure of Efrapeptin F
CAS: 131353-66-7
CID: 3081780
Formula: C82H141N18O16+
MW: 1635.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1635.1
XLogP32.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count16
Rotatable Bond Count38
Exact Mass1634.07729548
Monoisotopic Mass1634.07729548
Topological Polar Surface Area445 Ų
Heavy Atom Count116
Formal Charge1
Complexity3640
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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