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Details

Stereochemistry ABSOLUTE
Molecular Formula C67H102N18O26S
Molecular Weight 1607.697
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (269-283)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)NCC(O)=O

InChI

InChIKey=XYKGZUXPXSZCHJ-RVNXMNFPSA-N
InChI=1S/C67H102N18O26S/c1-8-30(4)52(65(109)79-38(18-29(2)3)57(101)81-44(27-112)55(99)72-25-50(97)98)82-63(107)45-10-9-17-85(45)67(111)54(33(7)89)84-66(110)53(32(6)88)83-61(105)40(20-35-23-70-28-73-35)76-59(103)41(21-46(68)91)77-60(104)42(22-49(95)96)78-62(106)43(26-86)80-56(100)37(15-16-48(93)94)75-58(102)39(19-34-11-13-36(90)14-12-34)74-47(92)24-71-64(108)51(69)31(5)87/h11-14,23,28-33,37-45,51-54,86-90,112H,8-10,15-22,24-27,69H2,1-7H3,(H2,68,91)(H,70,73)(H,71,108)(H,72,99)(H,74,92)(H,75,102)(H,76,103)(H,77,104)(H,78,106)(H,79,109)(H,80,100)(H,81,101)(H,82,107)(H,83,105)(H,84,110)(H,93,94)(H,95,96)(H,97,98)/t30-,31+,32+,33+,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-,53-,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula C67H102N18O26S
Molecular Weight 1607.697
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 10:20:50 GMT 2025
Edited
by admin
on Wed Apr 02 10:20:50 GMT 2025
Record UNII
8H224SW85Y
Record Status alternative
Record Version
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Primary Definition