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Details

Stereochemistry ABSOLUTE
Molecular Formula C81H143N21O16S3
Molecular Weight 1763.328
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (205-219)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N2CCC[C@H]2C(O)=O

InChI

InChIKey=MSXVHPOENPDAHQ-MRCIZARESA-N
InChI=1S/C81H143N21O16S3/c1-13-49(10)65(78(115)98-60(42-51-25-15-14-16-26-51)71(108)89-50(11)66(103)94-56(32-38-121-12)79(116)102-37-24-31-63(102)80(117)118)101-70(107)54(29-19-22-35-84)91-72(109)57(39-45(2)3)95-68(105)53(28-18-21-34-83)90-67(104)52(27-17-20-33-82)93-75(112)61(43-119)100-76(113)62(44-120)99-74(111)58(40-46(4)5)96-69(106)55(30-23-36-88-81(86)87)92-73(110)59(41-47(6)7)97-77(114)64(85)48(8)9/h14-16,25-26,45-50,52-65,119-120H,13,17-24,27-44,82-85H2,1-12H3,(H,89,108)(H,90,104)(H,91,109)(H,92,110)(H,93,112)(H,94,103)(H,95,105)(H,96,106)(H,97,114)(H,98,115)(H,99,111)(H,100,113)(H,101,107)(H,117,118)(H4,86,87,88)/t49-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1

HIDE SMILES / InChI

Molecular Formula C81H143N21O16S3
Molecular Weight 1763.328
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 12:09:15 GMT 2025
Edited
by admin
on Wed Apr 02 12:09:15 GMT 2025
Record UNII
YJD33DB5XQ
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition