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Details

Stereochemistry ABSOLUTE
Molecular Formula C72H122N18O24
Molecular Weight 1623.8453
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (37-51)]

SMILES

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

InChI

InChIKey=LUHQXXOHPHCYSZ-DIBNWKKXSA-N
InChI=1S/C72H122N18O24/c1-15-37(10)56(89-60(102)41(14)79-65(107)47(28-33(2)3)85-59(101)40(13)78-62(104)44(20-23-52(91)92)81-61(103)42(73)32-55(97)98)69(111)80-38(11)57(99)77-39(12)58(100)86-48(29-34(4)5)66(108)82-45(21-24-53(93)94)64(106)87-49(30-35(6)7)67(109)88-50(31-36(8)9)70(112)90-27-17-19-51(90)68(110)83-43(18-16-26-76-72(74)75)63(105)84-46(71(113)114)22-25-54(95)96/h33-51,56H,15-32,73H2,1-14H3,(H,77,99)(H,78,104)(H,79,107)(H,80,111)(H,81,103)(H,82,108)(H,83,110)(H,84,105)(H,85,101)(H,86,100)(H,87,106)(H,88,109)(H,89,102)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,113,114)(H4,74,75,76)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1

HIDE SMILES / InChI

Molecular Formula C72H122N18O24
Molecular Weight 1623.8453
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:25:34 GMT 2025
Edited
by admin
on Wed Apr 02 13:25:34 GMT 2025
Record UNII
RAM5QL73R4
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition