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Details

Stereochemistry ABSOLUTE
Molecular Formula C70H97N25O21
Molecular Weight 1624.6741
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (161-175)]

SMILES

C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC7=CNC=N7)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=YJOBAZPQCPNLGW-HEBJXWEOSA-N
InChI=1S/C70H97N25O21/c1-34(83-60(105)44(19-39-25-75-31-79-39)86-61(106)45(20-40-26-76-32-80-40)88-65(110)49(28-96)91-67(112)52-12-8-16-95(52)69(114)56(36(3)98)93-64(109)43(84-55(101)23-71)18-38-24-74-30-78-38)57(102)82-35(2)58(103)85-42(13-14-53(72)99)59(104)90-48(17-37-9-5-4-6-10-37)68(113)94-15-7-11-51(94)66(111)89-47(22-54(73)100)63(108)87-46(21-41-27-77-33-81-41)62(107)92-50(29-97)70(115)116/h4-6,9-10,24-27,30-36,42-52,56,96-98H,7-8,11-23,28-29,71H2,1-3H3,(H2,72,99)(H2,73,100)(H,74,78)(H,75,79)(H,76,80)(H,77,81)(H,82,102)(H,83,105)(H,84,101)(H,85,103)(H,86,106)(H,87,108)(H,88,110)(H,89,111)(H,90,104)(H,91,112)(H,92,107)(H,93,109)(H,115,116)/t34-,35-,36+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1

HIDE SMILES / InChI

Molecular Formula C70H97N25O21
Molecular Weight 1624.6741
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 10:37:26 GMT 2025
Edited
by admin
on Wed Apr 02 10:37:26 GMT 2025
Record UNII
MY3AL37YD3
Record Status alternative
Record Version
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Primary Definition