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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H108N20O25S
Molecular Weight 1697.823
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (81-95)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CNC=N4)C(O)=O

InChI

InChIKey=DDVODQSHVLNODT-ROQXOMJSSA-N
InChI=1S/C73H108N20O25S/c1-34(2)24-46(64(108)89-50(30-94)67(111)80-37(6)60(104)85-47(25-39-12-9-8-10-13-39)66(110)92-58(38(7)95)71(115)91-57(35(3)4)70(114)88-49(73(117)118)27-41-29-77-33-79-41)86-68(112)51(31-119)90-63(107)42(15-19-53(75)96)81-61(105)43(16-20-54(97)98)82-62(106)44(17-21-55(99)100)83-65(109)48(26-40-28-76-32-78-40)87-69(113)52-14-11-23-93(52)72(116)45(18-22-56(101)102)84-59(103)36(5)74/h8-10,12-13,28-29,32-38,42-52,57-58,94-95,119H,11,14-27,30-31,74H2,1-7H3,(H2,75,96)(H,76,78)(H,77,79)(H,80,111)(H,81,105)(H,82,106)(H,83,109)(H,84,103)(H,85,104)(H,86,112)(H,87,113)(H,88,114)(H,89,108)(H,90,107)(H,91,115)(H,92,110)(H,97,98)(H,99,100)(H,101,102)(H,117,118)/t36-,37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C73H108N20O25S
Molecular Weight 1697.823
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:06:31 GMT 2025
Edited
by admin
on Wed Apr 02 12:06:31 GMT 2025
Record UNII
39D4V3KL73
Record Status alternative
Record Version
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Primary Definition