U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C75H119N23O21S
Molecular Weight 1710.954
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (277-291)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC4=CNC=N4)C(O)=O

InChI

InChIKey=FTPVSTOAHLRAOC-NUEIRFRZSA-N
InChI=1S/C75H119N23O21S/c1-11-36(5)57(70(114)91-50(27-43-29-80-33-84-43)67(111)96-59(40(9)100)72(116)92-51(74(118)119)28-44-30-81-34-85-44)94-64(108)46(15-13-23-82-75(78)79)88-66(110)49(26-42-17-19-45(102)20-18-42)89-63(107)47(21-22-54(76)103)87-61(105)38(7)86-55(104)31-83-62(106)52(32-120)93-65(109)48(25-35(3)4)90-71(115)58(37(6)12-2)95-68(112)53-16-14-24-98(53)73(117)60(41(10)101)97-69(113)56(77)39(8)99/h17-20,29-30,33-41,46-53,56-60,99-102,120H,11-16,21-28,31-32,77H2,1-10H3,(H2,76,103)(H,80,84)(H,81,85)(H,83,106)(H,86,104)(H,87,105)(H,88,110)(H,89,107)(H,90,115)(H,91,114)(H,92,116)(H,93,109)(H,94,108)(H,95,112)(H,96,111)(H,97,113)(H,118,119)(H4,78,79,82)/t36-,37-,38-,39+,40+,41+,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-,59-,60-/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H119N23O21S
Molecular Weight 1710.954
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:09:05 GMT 2025
Edited
by admin
on Wed Apr 02 12:09:05 GMT 2025
Record UNII
SL4J29X7XC
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition