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Details

Stereochemistry ABSOLUTE
Molecular Formula C84H140N28O22
Molecular Weight 1894.1848
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (109-123)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI

InChIKey=PEQNYLRBCUQCHV-AWVYNTDOSA-N
InChI=1S/C84H140N28O22/c1-41(2)36-56(74(126)103-53(26-29-62(88)114)72(124)111-66(44(7)8)79(131)108-57(37-42(3)4)75(127)109-59(81(133)134)39-64(117)118)106-69(121)49(20-12-13-31-85)101-76(128)58(38-46-40-98-48-19-11-10-18-47(46)48)107-70(122)50(21-14-32-95-82(89)90)100-68(120)51(22-15-33-96-83(91)92)104-77(129)60-24-17-35-112(60)80(132)55(23-16-34-97-84(93)94)105-78(130)65(43(5)6)110-73(125)54(27-30-63(115)116)102-71(123)52(25-28-61(87)113)99-67(119)45(9)86/h10-11,18-19,40-45,49-60,65-66,98H,12-17,20-39,85-86H2,1-9H3,(H2,87,113)(H2,88,114)(H,99,119)(H,100,120)(H,101,128)(H,102,123)(H,103,126)(H,104,129)(H,105,130)(H,106,121)(H,107,122)(H,108,131)(H,109,127)(H,110,125)(H,111,124)(H,115,116)(H,117,118)(H,133,134)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1

HIDE SMILES / InChI

Molecular Formula C84H140N28O22
Molecular Weight 1894.1848
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 12:18:50 GMT 2025
Edited
by admin
on Wed Apr 02 12:18:50 GMT 2025
Record UNII
K9LKN47ZSN
Record Status alternative
Record Version
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Primary Definition