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Details

Stereochemistry ABSOLUTE
Molecular Formula C74H113N21O25
Molecular Weight 1696.8147
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (141-155)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI

InChIKey=WSOXCTMKZDYNHF-UUOTTZHWSA-N
InChI=1S/C74H113N21O25/c1-8-35(4)57(92-60(106)36(5)83-67(113)50-17-13-27-95(50)72(118)42(75)22-24-51(76)100)69(115)86-43(16-12-26-81-74(79)80)62(108)87-47(30-53(78)102)65(111)85-44(23-25-52(77)101)61(107)82-32-54(103)84-45(29-40-18-20-41(99)21-19-40)63(109)90-49(33-96)66(112)93-59(38(7)98)71(117)91-56(34(2)3)68(114)94-58(37(6)97)70(116)88-46(28-39-14-10-9-11-15-39)64(110)89-48(73(119)120)31-55(104)105/h9-11,14-15,18-21,34-38,42-50,56-59,96-99H,8,12-13,16-17,22-33,75H2,1-7H3,(H2,76,100)(H2,77,101)(H2,78,102)(H,82,107)(H,83,113)(H,84,103)(H,85,111)(H,86,115)(H,87,108)(H,88,116)(H,89,110)(H,90,109)(H,91,117)(H,92,106)(H,93,112)(H,94,114)(H,104,105)(H,119,120)(H4,79,80,81)/t35-,36-,37+,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,56-,57-,58-,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula C74H113N21O25
Molecular Weight 1696.8147
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:09:08 GMT 2025
Edited
by admin
on Wed Apr 02 11:09:08 GMT 2025
Record UNII
Q7R53VWZ4Q
Record Status alternative
Record Version
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Primary Definition