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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H122N16O24S
Molecular Weight 1748.004
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (181-195)]

SMILES

CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)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)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=RMSIBRGPWMWCKU-HVQYMRDHSA-N
InChI=1S/C82H122N16O24S/c1-43(2)32-52(84)70(109)90-58(36-48-18-12-10-13-19-48)76(115)92-56(33-44(3)4)74(113)87-53(22-16-17-31-83)72(111)88-54(27-29-66(102)103)71(110)85-40-65(101)86-47(9)69(108)98-64(42-123)81(120)95-61(39-68(106)107)79(118)89-55(28-30-67(104)105)73(112)91-57(34-45(5)6)75(114)93-59(37-49-20-14-11-15-21-49)78(117)97-63(41-99)80(119)94-60(38-50-23-25-51(100)26-24-50)77(116)96-62(82(121)122)35-46(7)8/h10-15,18-21,23-26,43-47,52-64,99-100,123H,16-17,22,27-42,83-84H2,1-9H3,(H,85,110)(H,86,101)(H,87,113)(H,88,111)(H,89,118)(H,90,109)(H,91,112)(H,92,115)(H,93,114)(H,94,119)(H,95,120)(H,96,116)(H,97,117)(H,98,108)(H,102,103)(H,104,105)(H,106,107)(H,121,122)/t47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1

HIDE SMILES / InChI

Molecular Formula C82H122N16O24S
Molecular Weight 1748.004
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 13:29:52 GMT 2025
Edited
by admin
on Wed Apr 02 13:29:52 GMT 2025
Record UNII
RWL6VCP6WC
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition