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Α-Factor Mating Pheromone, yeast

CAT: 1410-M29805-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Alpha factor mating pheromone is a peptide of 13 amino acids secreted by Saccharomyces cerevisiae α cells.
CAS Number
59401-28-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1684
Molecular Formula
C82H114N20O17S
Notes
Research use only, not for human use.
Receptor
Ste2p

Chemical Information

alpha-Mating factor
CAS Number59401-28-4
PubChem CID71299812
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC82H114N20O17S
Molecular Weight1684.0
XLogP-0.7
Topological Polar Surface Area613
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count21
Rotatable Bond Count48
Heavy Atom Count120
Formal Charge0
Complexity3480
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)N
InChI
InChI=1S/C82H114N20O17S/c1-45(2)34-61(98-76(112)63(38-49-41-89-56-17-9-7-15-53(49)56)99-77(113)64(39-50-42-87-44-91-50)96-71(107)54(84)37-48-40-88-55-16-8-6-14-52(48)55)74(110)93-57(25-27-68(85)104)72(108)97-62(35-46(3)4)75(111)95-59(18-10-11-30-83)80(116)101-31-12-19-66(101)78(114)90-43-70(106)92-60(26-28-69(86)105)81(117)102-32-13-20-67(102)79(115)94-58(29-33-120-5)73(109)100-65(82(118)119)36-47-21-23-51(103)24-22-47/h6-9,14-17,21-24,40-42,44-46,54,57-67,88-89,103H,10-13,18-20,25-39,43,83-84H2,1-5H3,(H2,85,104)(H2,86,105)(H,87,91)(H,90,114)(H,92,106)(H,93,110)(H,94,115)(H,95,111)(H,96,107)(H,97,108)(H,98,112)(H,99,113)(H,100,109)(H,118,119)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
InChIKey
SBKVPJHMSUXZTA-MEJXFZFPSA-N
Chemical Structure
2D Structure
2D structure of alpha-Mating factor
CAS: 59401-28-4
CID: 71299812
Formula: C82H114N20O17S
MW: 1684.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1684.0
XLogP3-0.7
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count21
Rotatable Bond Count48
Exact Mass1682.83915342
Monoisotopic Mass1682.83915342
Topological Polar Surface Area613 Ų
Heavy Atom Count120
Formal Charge0
Complexity3480
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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