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Details

Stereochemistry ABSOLUTE
Molecular Formula C72H117N23O22S
Molecular Weight 1688.905
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (61-75)]

SMILES

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC2=CC=CC=C2)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=DZHTUVZQPAYAOY-HZULJROMSA-N
InChI=1S/C72H117N23O22S/c1-35(2)27-48(66(111)87-44(17-12-13-24-73)61(106)83-37(5)58(103)86-47(23-26-118-8)65(110)94-56(36(3)4)69(114)89-45(19-21-52(75)98)62(107)84-38(6)71(116)117)92-70(115)57(39(7)97)95-64(109)46(20-22-53(76)99)88-68(113)51(33-96)93-67(112)49(29-41-31-79-34-82-41)91-63(108)43(18-14-25-80-72(77)78)85-54(100)32-81-60(105)50(30-55(101)102)90-59(104)42(74)28-40-15-10-9-11-16-40/h9-11,15-16,31,34-39,42-51,56-57,96-97H,12-14,17-30,32-33,73-74H2,1-8H3,(H2,75,98)(H2,76,99)(H,79,82)(H,81,105)(H,83,106)(H,84,107)(H,85,100)(H,86,103)(H,87,111)(H,88,113)(H,89,114)(H,90,104)(H,91,108)(H,92,115)(H,93,112)(H,94,110)(H,95,109)(H,101,102)(H,116,117)(H4,77,78,80)/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1

HIDE SMILES / InChI

Molecular Formula C72H117N23O22S
Molecular Weight 1688.905
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 12:08:10 GMT 2025
Edited
by admin
on Wed Apr 02 12:08:10 GMT 2025
Record UNII
LX4GJ3Y7YR
Record Status alternative
Record Version
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Primary Definition