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Details

Stereochemistry ABSOLUTE
Molecular Formula C80H121N21O21S
Molecular Weight 1745.01
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (65-79)]

SMILES

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)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](CC2=CNC3=C2C=CC=C3)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI

InChIKey=DMGDJHSSJRCWDP-MIQYZDGFSA-N
InChI=1S/C80H121N21O21S/c1-40(2)32-56(95-78(119)64(44(7)103)99-71(112)54(25-27-62(84)106)92-75(116)59(38-102)97-68(109)50(82)35-48-37-85-39-87-48)73(114)91-52(22-15-16-29-81)69(110)88-42(5)66(107)90-55(28-31-123-9)72(113)98-63(41(3)4)77(118)93-53(24-26-61(83)105)70(111)89-43(6)67(108)96-58(34-47-36-86-51-21-14-13-20-49(47)51)79(120)101-30-17-23-60(101)76(117)94-57(33-46-18-11-10-12-19-46)74(115)100-65(45(8)104)80(121)122/h10-14,18-21,36-37,39-45,50,52-60,63-65,86,102-104H,15-17,22-35,38,81-82H2,1-9H3,(H2,83,105)(H2,84,106)(H,85,87)(H,88,110)(H,89,111)(H,90,107)(H,91,114)(H,92,116)(H,93,118)(H,94,117)(H,95,119)(H,96,108)(H,97,109)(H,98,113)(H,99,112)(H,100,115)(H,121,122)/t42-,43-,44+,45+,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-,64-,65-/m0/s1

HIDE SMILES / InChI

Molecular Formula C80H121N21O21S
Molecular Weight 1745.01
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:08:14 GMT 2025
Edited
by admin
on Wed Apr 02 12:08:14 GMT 2025
Record UNII
N8LSK3N8VL
Record Status alternative
Record Version
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Primary Definition