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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H114N20O17S
Molecular Weight 1683.971
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPHA-MATING FACTOR

SMILES

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H](N)CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CC8=CC=C(O)C=C8)C(O)=O

InChI

InChIKey=SBKVPJHMSUXZTA-MEJXFZFPSA-N
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

HIDE SMILES / InChI

Molecular Formula C82H114N20O17S
Molecular Weight 1683.971
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:24:14 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:14 GMT 2023
Record UNII
JS24YA3IGQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPHA-MATING FACTOR
Common Name English
.ALPHA.SC1-PHEROMONE
Common Name English
L-TYROSINE, L-TRYPTOPHYL-L-HISTIDYL-L-TRYPTOPHYL-L-LEUCYL-L-GLUTAMINYL-L-LEUCYL-L-LYSYL-L-PROLYLGLYCYL-L-GLUTAMINYL-L-PROLYL-L-METHIONYL-
Common Name English
MATING FACTOR ALPHA-1
Common Name English
FACTOR .ALPHA.1 (SACCHAROMYCES CEREVISIAE)
Common Name English
MATING FACTOR ALPHA
Common Name English
MF(ALPHA)1
Common Name English
Code System Code Type Description
CAS
59401-28-4
Created by admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID8044040
Created by admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
PRIMARY
PUBCHEM
16142893
Created by admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
PRIMARY
FDA UNII
JS24YA3IGQ
Created by admin on Sat Dec 16 08:24:14 GMT 2023 , Edited by admin on Sat Dec 16 08:24:14 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY