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Details

Stereochemistry ABSOLUTE
Molecular Formula C78H128N16O22
Molecular Weight 1641.9449
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (173-187)]

SMILES

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=KXUYJFDUKAKKPD-OPWOXEDUSA-N
InChI=1S/C78H128N16O22/c1-16-45(14)61(80)77(114)94-32-22-26-56(94)73(110)93-64(44(12)13)74(111)85-50(28-30-59(98)99)67(104)91-62(42(8)9)75(112)89-53(35-41(6)7)72(109)92-63(43(10)11)76(113)90-55(37-60(100)101)71(108)87-52(34-40(4)5)69(106)88-54(36-47-23-18-17-19-24-47)70(107)86-51(33-39(2)3)68(105)83-48(25-20-21-31-79)66(103)84-49(27-29-58(96)97)65(102)81-38-57(95)82-46(15)78(115)116/h17-19,23-24,39-46,48-56,61-64H,16,20-22,25-38,79-80H2,1-15H3,(H,81,102)(H,82,95)(H,83,105)(H,84,103)(H,85,111)(H,86,107)(H,87,108)(H,88,106)(H,89,112)(H,90,113)(H,91,104)(H,92,109)(H,93,110)(H,96,97)(H,98,99)(H,100,101)(H,115,116)/t45-,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-/m0/s1

HIDE SMILES / InChI

Molecular Formula C78H128N16O22
Molecular Weight 1641.9449
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:29:11 GMT 2025
Edited
by admin
on Wed Apr 02 13:29:11 GMT 2025
Record UNII
JQL78H7YJE
Record Status alternative
Record Version
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Primary Definition