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Details

Stereochemistry ABSOLUTE
Molecular Formula C74H128N22O23
Molecular Weight 1693.9417
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (101-115)]

SMILES

CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=LXCAOIJTJFGZTN-FRAYIZSZSA-N
InChI=1S/C74H128N22O23/c1-34(2)27-41(75)60(106)90-49(31-55(101)102)61(107)83-33-53(98)85-46(28-35(3)4)65(111)92-50(32-56(103)104)67(113)95-58(39(11)12)70(116)93-48(30-37(7)8)66(112)91-47(29-36(5)6)64(110)84-40(13)59(105)86-42(20-22-52(76)97)62(108)87-43(21-23-54(99)100)63(109)94-57(38(9)10)69(115)88-44(17-14-24-81-73(77)78)71(117)96-26-16-19-51(96)68(114)89-45(72(118)119)18-15-25-82-74(79)80/h34-51,57-58H,14-33,75H2,1-13H3,(H2,76,97)(H,83,107)(H,84,110)(H,85,98)(H,86,105)(H,87,108)(H,88,115)(H,89,114)(H,90,106)(H,91,112)(H,92,111)(H,93,116)(H,94,109)(H,95,113)(H,99,100)(H,101,102)(H,103,104)(H,118,119)(H4,77,78,81)(H4,79,80,82)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C74H128N22O23
Molecular Weight 1693.9417
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:26:30 GMT 2025
Edited
by admin
on Wed Apr 02 13:26:30 GMT 2025
Record UNII
UY92DS3HRJ
Record Status alternative
Record Version
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Primary Definition