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Details

Stereochemistry ABSOLUTE
Molecular Formula C83H116N26O24
Molecular Weight 1861.9689
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (125-139)]

SMILES

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(=O)N[C@@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O

InChI

InChIKey=ZSTKJKHSBXAMHT-GAVQWFPSSA-N
InChI=1S/C83H116N26O24/c1-40(2)67(80(130)105-54(27-43-33-93-49-19-9-7-16-46(43)49)74(124)106-60(37-110)70(120)95-36-65(116)97-59(82(132)133)31-64(88)115)108-81(131)68(41(3)112)109-78(128)55(28-44-34-94-50-20-10-8-17-47(44)50)101-73(123)53(26-42-14-5-4-6-15-42)100-77(127)58(32-66(117)118)104-72(122)52(22-23-62(86)113)99-75(125)56(29-45-35-91-39-96-45)102-79(129)61(38-111)107-76(126)57(30-63(87)114)103-71(121)51(21-11-12-24-84)98-69(119)48(85)18-13-25-92-83(89)90/h4-10,14-17,19-20,33-35,39-41,48,51-61,67-68,93-94,110-112H,11-13,18,21-32,36-38,84-85H2,1-3H3,(H2,86,113)(H2,87,114)(H2,88,115)(H,91,96)(H,95,120)(H,97,116)(H,98,119)(H,99,125)(H,100,127)(H,101,123)(H,102,129)(H,103,121)(H,104,122)(H,105,130)(H,106,124)(H,107,126)(H,108,131)(H,109,128)(H,117,118)(H,132,133)(H4,89,90,92)/t41-,48+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,67+,68+/m1/s1

HIDE SMILES / InChI

Molecular Formula C83H116N26O24
Molecular Weight 1861.9689
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 13:28:55 GMT 2025
Edited
by admin
on Wed Apr 02 13:28:55 GMT 2025
Record UNII
BWP2LA3SQE
Record Status alternative
Record Version
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Primary Definition