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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H123N17O23
Molecular Weight 1630.8792
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (97-111)]

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=BGSXRTFQUCCYDB-QSSQUINUSA-N
InChI=1S/C75H123N17O23/c1-36(2)28-49(82-56(94)35-79-65(104)53(33-58(97)98)87-71(110)52(31-39(7)8)89-73(112)60(40(9)10)91-63(102)43(14)80-66(105)46(22-18-19-27-76)84-64(103)45(77)32-44-20-16-15-17-21-44)69(108)88-54(34-59(99)100)72(111)92-61(41(11)12)74(113)90-51(30-38(5)6)70(109)86-50(29-37(3)4)68(107)81-42(13)62(101)83-47(23-25-55(78)93)67(106)85-48(75(114)115)24-26-57(95)96/h15-17,20-21,36-43,45-54,60-61H,18-19,22-35,76-77H2,1-14H3,(H2,78,93)(H,79,104)(H,80,105)(H,81,107)(H,82,94)(H,83,101)(H,84,103)(H,85,106)(H,86,109)(H,87,110)(H,88,108)(H,89,112)(H,90,113)(H,91,102)(H,92,111)(H,95,96)(H,97,98)(H,99,100)(H,114,115)/t42-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-,61-/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H123N17O23
Molecular Weight 1630.8792
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:26:28 GMT 2025
Edited
by admin
on Wed Apr 02 13:26:28 GMT 2025
Record UNII
92ZN7WB9VF
Record Status alternative
Record Version
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Primary Definition