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Details

Stereochemistry ABSOLUTE
Molecular Formula C80H113N21O20S
Molecular Weight 1720.947
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (53-67)]

SMILES

CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CC4=CC=CC=C4)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI

InChIKey=HROHOXGNKYTDBD-STLZSKHHSA-N
InChI=1S/C80H113N21O20S/c1-44(2)34-55(98-76(117)61-25-16-31-100(61)78(119)62-26-17-32-101(62)77(118)51(81)35-47-18-9-6-10-19-47)71(112)95-57(37-49-22-13-8-14-23-49)72(113)92-53(29-33-122-5)69(110)90-45(3)66(107)89-46(4)67(108)94-56(36-48-20-11-7-12-21-48)73(114)97-59(39-65(105)106)68(109)87-41-64(104)91-52(24-15-30-86-80(83)84)70(111)96-58(38-50-40-85-43-88-50)74(115)99-60(42-102)75(116)93-54(79(120)121)27-28-63(82)103/h6-14,18-23,40,43-46,51-62,102H,15-17,24-39,41-42,81H2,1-5H3,(H2,82,103)(H,85,88)(H,87,109)(H,89,107)(H,90,110)(H,91,104)(H,92,113)(H,93,116)(H,94,108)(H,95,112)(H,96,111)(H,97,114)(H,98,117)(H,99,115)(H,105,106)(H,120,121)(H4,83,84,86)/t45-,46-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

HIDE SMILES / InChI

Approval Year