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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H114N24O23
Molecular Weight 1803.9296
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (129-143)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC6=CNC=N6)[C@@H](C)O)C(C)C)C(O)=O

InChI

InChIKey=CWPYPPYYYJMFCU-BXGUHWSTSA-N
InChI=1S/C82H114N24O23/c1-39(2)25-59(81(128)129)102-78(125)61(37-108)103-68(115)41(5)94-71(118)52(21-14-24-89-82(86)87)97-75(122)57(30-63(85)111)95-64(112)35-92-70(117)60(36-107)104-74(121)55(27-44-32-90-50-19-12-10-17-47(44)50)101-79(126)66(40(3)4)105-80(127)67(42(6)109)106-77(124)56(28-45-33-91-51-20-13-11-18-48(45)51)99-73(120)54(26-43-15-8-7-9-16-43)98-76(123)58(31-65(113)114)100-72(119)53(22-23-62(84)110)96-69(116)49(83)29-46-34-88-38-93-46/h7-13,15-20,32-34,38-42,49,52-61,66-67,90-91,107-109H,14,21-31,35-37,83H2,1-6H3,(H2,84,110)(H2,85,111)(H,88,93)(H,92,117)(H,94,118)(H,95,112)(H,96,116)(H,97,122)(H,98,123)(H,99,120)(H,100,119)(H,101,126)(H,102,125)(H,103,115)(H,104,121)(H,105,127)(H,106,124)(H,113,114)(H,128,129)(H4,86,87,89)/t41-,42+,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-/m0/s1

HIDE SMILES / InChI

Molecular Formula C82H114N24O23
Molecular Weight 1803.9296
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 13:29:00 GMT 2025
Edited
by admin
on Wed Apr 02 13:29:00 GMT 2025
Record UNII
4PLY4Q7JYU
Record Status alternative
Record Version
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Primary Definition