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Details

Stereochemistry ABSOLUTE
Molecular Formula C80H130N22O20S
Molecular Weight 1752.089
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (85-99)]

SMILES

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=OZQRYWUPRJZFLZ-LFSBUUJWSA-N
InChI=1S/C80H130N22O20S/c1-42(2)31-56(72(113)94-54(24-26-64(106)107)71(112)102-66(47(10)103)79(120)101-59(34-48-19-13-12-14-20-48)75(116)93-52(22-16-18-29-82)68(109)90-46(9)80(121)122)96-77(118)61(36-50-38-86-41-89-50)99-74(115)57(32-43(3)4)97-76(117)60(35-49-37-85-40-88-49)98-69(110)53(23-25-62(83)104)91-63(105)39-87-67(108)51(21-15-17-28-81)92-70(111)55(27-30-123-11)95-73(114)58(33-44(5)6)100-78(119)65(84)45(7)8/h12-14,19-20,37-38,40-47,51-61,65-66,103H,15-18,21-36,39,81-82,84H2,1-11H3,(H2,83,104)(H,85,88)(H,86,89)(H,87,108)(H,90,109)(H,91,105)(H,92,111)(H,93,116)(H,94,113)(H,95,114)(H,96,118)(H,97,117)(H,98,110)(H,99,115)(H,100,119)(H,101,120)(H,102,112)(H,106,107)(H,121,122)/t46-,47+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-/m0/s1

HIDE SMILES / InChI

Molecular Formula C80H130N22O20S
Molecular Weight 1752.089
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 13:26:22 GMT 2025
Edited
by admin
on Wed Apr 02 13:26:22 GMT 2025
Record UNII
2EEQ5CSR2M
Record Status alternative
Record Version
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Primary Definition