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Details

Stereochemistry ABSOLUTE
Molecular Formula C79H128N28O22S
Molecular Weight 1854.101
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (421-435)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3=CNC=N3)C(O)=O

InChI

InChIKey=PWENIZBWPRFVKN-NEWGGZQYSA-N
InChI=1S/C79H128N28O22S/c1-40(2)29-53(74(125)107-62(41(3)4)76(127)100-50(20-14-28-91-79(86)87)67(118)103-55(31-44-34-88-38-92-44)72(123)105-57(77(128)129)32-45-35-89-39-93-45)101-70(121)52(22-24-60(110)111)99-73(124)56(33-61(112)113)104-75(126)58(36-108)106-68(119)49(19-13-27-90-78(84)85)95-63(114)42(5)94-71(122)54(30-43-15-7-6-8-16-43)102-66(117)48(18-10-12-26-81)97-65(116)47(17-9-11-25-80)98-69(120)51(21-23-59(83)109)96-64(115)46(82)37-130/h6-8,15-16,34-35,38-42,46-58,62,108,130H,9-14,17-33,36-37,80-82H2,1-5H3,(H2,83,109)(H,88,92)(H,89,93)(H,94,122)(H,95,114)(H,96,115)(H,97,116)(H,98,120)(H,99,124)(H,100,127)(H,101,121)(H,102,117)(H,103,118)(H,104,126)(H,105,123)(H,106,119)(H,107,125)(H,110,111)(H,112,113)(H,128,129)(H4,84,85,90)(H4,86,87,91)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1

HIDE SMILES / InChI

Molecular Formula C79H128N28O22S
Molecular Weight 1854.101
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 13:21:08 GMT 2025
Edited
by admin
on Wed Apr 02 13:21:08 GMT 2025
Record UNII
8LFY6XZ2Y8
Record Status alternative
Record Version
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Primary Definition