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

Details

Stereochemistry ABSOLUTE
Molecular Formula C55H74N10O13S
Molecular Weight 1115.3
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ederimotide

SMILES

CSCC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=IBNSYSWDJJQKSY-PJYANRIDSA-N
InChI=1S/C55H74N10O13S/c1-31(2)26-43(55(77)78)63-50(72)40(28-35-16-20-37(67)21-17-35)60-51(73)44-12-8-23-64(44)53(75)32(3)58-49(71)41(30-46(57)68)61-52(74)45-13-9-24-65(45)54(76)42(29-33-10-6-5-7-11-33)62-48(70)39(22-25-79-4)59-47(69)38(56)27-34-14-18-36(66)19-15-34/h5-7,10-11,14-21,31-32,38-45,66-67H,8-9,12-13,22-30,56H2,1-4H3,(H2,57,68)(H,58,71)(H,59,69)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,77,78)/t32-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Ederimotide
INN  
Official Name English
ederimotide [INN]
Common Name English
L-LEUCINE, L-TYROSYL-L-METHIONYL-L-PHENYLALANYL-L-PROLYL-L-ASPARAGINYL-L-ALANYL-L-PROLYL-L-TYROSYL-
Systematic Name English
[R126>Y]-human Wilms tumor protein (WT33)-(126-134)-peptide
Common Name English
WT-1 A1
Common Name English
WT1-A1
Common Name English
TYR-MET-PHE-PRO-ASN-ALA-PRO-TYR-LEU
Common Name English
Code System Code Type Description
CAS
852243-39-1
Created by admin on Sat Dec 16 11:30:29 GMT 2023 , Edited by admin on Sat Dec 16 11:30:29 GMT 2023
PRIMARY
PUBCHEM
11480243
Created by admin on Sat Dec 16 11:30:29 GMT 2023 , Edited by admin on Sat Dec 16 11:30:29 GMT 2023
PRIMARY
NCI_THESAURUS
C199033
Created by admin on Sat Dec 16 11:30:29 GMT 2023 , Edited by admin on Sat Dec 16 11:30:29 GMT 2023
PRIMARY
INN
12584
Created by admin on Sat Dec 16 11:30:29 GMT 2023 , Edited by admin on Sat Dec 16 11:30:29 GMT 2023
PRIMARY
FDA UNII
V4JB309K8X
Created by admin on Sat Dec 16 11:30:29 GMT 2023 , Edited by admin on Sat Dec 16 11:30:29 GMT 2023
PRIMARY