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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H128N26O20S2
Molecular Weight 1862.186
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (329-343)]

SMILES

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC4=CNC=N4)C(O)=O

InChI

InChIKey=GQKCLWMLYZUONS-DFNTYYFDSA-N
InChI=1S/C82H128N26O20S2/c1-44(2)30-56(73(119)99-54(23-24-65(86)111)71(117)100-55(25-29-130-5)72(118)107-62(81(127)128)35-49-39-91-43-94-49)102-77(123)60(34-48-38-90-42-93-48)105-79(125)63(40-109)108-74(120)57(31-45(3)4)101-69(115)52(17-10-12-27-84)97-75(121)58(32-46-14-7-6-8-15-46)104-76(122)59(33-47-19-21-50(110)22-20-47)103-70(116)53(18-13-28-92-82(88)89)96-68(114)51(16-9-11-26-83)98-78(124)61(36-66(87)112)106-80(126)64(41-129)95-67(113)37-85/h6-8,14-15,19-22,38-39,42-45,51-64,109-110,129H,9-13,16-18,23-37,40-41,83-85H2,1-5H3,(H2,86,111)(H2,87,112)(H,90,93)(H,91,94)(H,95,113)(H,96,114)(H,97,121)(H,98,124)(H,99,119)(H,100,117)(H,101,115)(H,102,123)(H,103,116)(H,104,122)(H,105,125)(H,106,126)(H,107,118)(H,108,120)(H,127,128)(H4,88,89,92)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1

HIDE SMILES / InChI

Molecular Formula C82H128N26O20S2
Molecular Weight 1862.186
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 11:13:15 GMT 2025
Edited
by admin
on Wed Apr 02 11:13:15 GMT 2025
Record UNII
YRW6FS6EQ8
Record Status alternative
Record Version
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Primary Definition