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Details

Stereochemistry ABSOLUTE
Molecular Formula C84H115N21O22
Molecular Weight 1770.9394
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (133-147)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC3=CNC4=C3C=CC=C4)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N7CCC[C@H]7C(O)=O

InChI

InChIKey=CZUNHQKUAZAZKW-KWKSBVLYSA-N
InChI=1S/C84H115N21O22/c1-42(2)30-57(74(117)97-58(31-47-24-26-50(110)27-25-47)75(118)102-64(41-108)79(122)99-61(32-46-16-8-7-9-17-46)82(125)105-29-15-23-65(105)83(126)127)96-78(121)63(40-107)100-70(113)44(5)93-73(116)56(22-14-28-89-84(87)88)95-77(120)60(35-66(86)111)94-67(112)38-92-72(115)62(39-106)101-76(119)59(34-49-37-91-55-21-13-11-19-52(49)55)98-80(123)68(43(3)4)103-81(124)69(45(6)109)104-71(114)53(85)33-48-36-90-54-20-12-10-18-51(48)54/h7-13,16-21,24-27,36-37,42-45,53,56-65,68-69,90-91,106-110H,14-15,22-23,28-35,38-41,85H2,1-6H3,(H2,86,111)(H,92,115)(H,93,116)(H,94,112)(H,95,120)(H,96,121)(H,97,117)(H,98,123)(H,99,122)(H,100,113)(H,101,119)(H,102,118)(H,103,124)(H,104,114)(H,126,127)(H4,87,88,89)/t44-,45+,53-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-,69-/m0/s1

HIDE SMILES / InChI

Molecular Formula C84H115N21O22
Molecular Weight 1770.9394
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:18:13 GMT 2025
Edited
by admin
on Wed Apr 02 11:18:13 GMT 2025
Record UNII
UTA5BWZ8JZ
Record Status alternative
Record Version
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Primary Definition