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Details

Stereochemistry ABSOLUTE
Molecular Formula C74H125N25O19
Molecular Weight 1668.9404
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (293-307)]

SMILES

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=ZTMQZPZKCIJITB-OCLJXAODSA-N
InChI=1S/C74H125N25O19/c1-12-40(10)58(96-52(102)34-86-59(105)43(22-16-28-83-72(77)78)89-63(109)47(32-42-20-14-13-15-21-42)94-66(112)54(76)36(2)3)69(115)92-46(26-27-50(75)100)61(107)93-48(33-53(103)104)64(110)97-56(38(6)7)68(114)91-44(23-17-29-84-73(79)80)60(106)90-45(24-18-30-85-74(81)82)62(108)98-57(39(8)9)70(116)99-31-19-25-49(99)65(111)87-35-51(101)95-55(37(4)5)67(113)88-41(11)71(117)118/h13-15,20-21,36-41,43-49,54-58H,12,16-19,22-35,76H2,1-11H3,(H2,75,100)(H,86,105)(H,87,111)(H,88,113)(H,89,109)(H,90,106)(H,91,114)(H,92,115)(H,93,107)(H,94,112)(H,95,101)(H,96,102)(H,97,110)(H,98,108)(H,103,104)(H,117,118)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t40-,41-,43-,44-,45-,46-,47-,48-,49-,54-,55-,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C74H125N25O19
Molecular Weight 1668.9404
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 13:17:17 GMT 2025
Edited
by admin
on Wed Apr 02 13:17:17 GMT 2025
Record UNII
X8W7DMW59H
Record Status alternative
Record Version
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Primary Definition