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Details

Stereochemistry ABSOLUTE
Molecular Formula C70H108N18O24
Molecular Weight 1585.7127
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (185-199)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=BURDAIUQTXRTSZ-DKZNROJBSA-N
InChI=1S/C70H108N18O24/c1-34(2)28-43(81-64(105)45(32-89)78-54(96)30-75-58(99)39(71)17-21-50(72)92)59(100)76-31-53(95)77-40(20-24-55(97)98)60(101)79-41(18-22-51(73)93)61(102)80-42(19-23-52(74)94)62(103)82-44(29-37-13-15-38(91)16-14-37)63(104)83-46(33-90)65(106)84-56(35(3)4)69(110)88-27-9-12-49(88)68(109)87-26-8-11-48(87)67(108)86-25-7-10-47(86)66(107)85-57(36(5)6)70(111)112/h13-16,34-36,39-49,56-57,89-91H,7-12,17-33,71H2,1-6H3,(H2,72,92)(H2,73,93)(H2,74,94)(H,75,99)(H,76,100)(H,77,95)(H,78,96)(H,79,101)(H,80,102)(H,81,105)(H,82,103)(H,83,104)(H,84,106)(H,85,107)(H,97,98)(H,111,112)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1

HIDE SMILES / InChI

Molecular Formula C70H108N18O24
Molecular Weight 1585.7127
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:20:31 GMT 2025
Edited
by admin
on Wed Apr 02 12:20:31 GMT 2025
Record UNII
4R7L3NK94A
Record Status alternative
Record Version
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Primary Definition