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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H128N18O18S2
Molecular Weight 1718.134
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (69-83)]

SMILES

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=XIACSJVOJFTTOX-VSGFPZPPSA-N
InChI=1S/C82H128N18O18S2/c1-43(2)36-53(84)70(105)90-55(26-18-19-32-83)71(106)87-47(9)68(103)89-57(31-35-120-12)73(108)97-66(46(7)8)78(113)91-56(29-30-65(85)102)72(107)88-48(10)69(104)93-60(40-51-41-86-54-25-17-16-24-52(51)54)81(116)100-34-20-27-63(100)76(111)92-58(39-50-22-14-13-15-23-50)74(109)98-67(49(11)101)79(114)96-62(42-119)75(110)94-59(37-44(3)4)80(115)99-33-21-28-64(99)77(112)95-61(82(117)118)38-45(5)6/h13-17,22-25,41,43-49,53,55-64,66-67,86,101,119H,18-21,26-40,42,83-84H2,1-12H3,(H2,85,102)(H,87,106)(H,88,107)(H,89,103)(H,90,105)(H,91,113)(H,92,111)(H,93,104)(H,94,110)(H,95,112)(H,96,114)(H,97,108)(H,98,109)(H,117,118)/t47-,48-,49+,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-/m0/s1

HIDE SMILES / InChI

Approval Year