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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H121N21O23S
Molecular Weight 1716.955
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (145-159)]

SMILES

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=JGWLNYFWYJTYQQ-KVCATRNXSA-N
InChI=1S/C75H121N21O23S/c1-40(84-63(107)47(25-28-57(100)101)86-67(111)53-21-13-35-95(53)72(116)50(26-29-58(102)103)90-69(113)55-23-15-36-96(55)73(117)52(92-62(106)44(78)39-97)38-43-16-6-5-7-17-43)60(104)83-41(2)61(105)89-49(24-27-56(79)99)71(115)94-34-14-22-54(94)68(112)87-48(30-37-120-4)66(110)93-59(42(3)98)70(114)88-46(19-9-11-32-77)64(108)85-45(18-8-10-31-76)65(109)91-51(74(118)119)20-12-33-82-75(80)81/h5-7,16-17,40-42,44-55,59,97-98H,8-15,18-39,76-78H2,1-4H3,(H2,79,99)(H,83,104)(H,84,107)(H,85,108)(H,86,111)(H,87,112)(H,88,114)(H,89,105)(H,90,113)(H,91,109)(H,92,106)(H,93,110)(H,100,101)(H,102,103)(H,118,119)(H4,80,81,82)/t40-,41-,42+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H121N21O23S
Molecular Weight 1716.955
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 13:29:05 GMT 2025
Edited
by admin
on Wed Apr 02 13:29:05 GMT 2025
Record UNII
K55ZFQ726D
Record Status alternative
Record Version
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Primary Definition