Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
J5OUL9SHW5
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C74H100ClN15O14.2C2HF3O2
Molecular Weight 1687.178
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 01:59:03 EDT 2021
Edited by admin on Wed Aug 04 01:59:03 EDT 2021
Structure of TEVERELIX TRIFLUOROACETATE

Systematic Names:

  • None recorded

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CC=CN=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC=C5C=CC=CC5=C4)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O

InChI

XCOCXBFSPCRONC-SAECRDNQSA-N
InChI=1S/C74H100ClN15O14.2C2HF3O2/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49;2*3-2(4,5)1(6)7/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104);2*(H,6,7)/t45-,55-,56+,57+,58-,59+,60-,61-,62+,63+;;/m1../s1
Related Record Type
Alternative Definition
Created by admin on Thu Aug 05 04:41:19 EDT 2021 , Edited by admin on Thu Aug 05 04:41:19 EDT 2021
Name Type Language Details Access References
TEVERELIX TRIFLUOROACETATE
Common Name
English  
D-ALANINAMIDE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-L-SERYL-L-TYROSYL-N6-(AMINOCARBONYL)-D-LYSYL-L-LEUCYL-N6-(1-METHYLETHYL)-L-LYSYL-L-PROLYL-, BIS(TRIFLUOROACETATE) (SALT)
Common Name
English  
Code System Code Type Description Access References
CAS
244792-29-8
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
PRIMARY
CAS
500717-24-8
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
NON-SPECIFIC STOICHIOMETRY
FDA UNII
J5OUL9SHW5
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
PRIMARY
NCI_THESAURUS
C179714
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
PRIMARY
PUBCHEM
145722623
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 01:59:03 EDT 2021 , Edited by admin on Wed Aug 04 01:59:03 EDT 2021
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: OC(=O)C(F)(F)F
[Validation]WARNING:alternative definition not found NO NAME
[Validation]WARNING:Substance may be represented as protein as well. Sequence:[XXXXSYXLXPa]
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: CC(C)C[C@H](NC(=O)[C@@H](CCCCN=C(N)O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=C(C=CC=C5)C=C4)N=C(C)O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O
Created Wed Aug 04 01:59:03 EDT 2021
Created By admin
Last Edited Wed Aug 04 01:59:03 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 01:59:00 EDT 2021
2 STN STN (SCIFINDER)
3 STN STN (SCIFINDER)
4 SRS import [D19V7048JK] SRS NOMEN Fri Apr 28 14:33:35 EDT 2017
5 NCIT NCI THESAURUS
6 USP DICTIONARY 2010 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
7 PUBCHEM PUBCHEM
8 System generated SYSTEM
9 STN (SCIFINDER)
10 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 01:59:03 EDT 2021

Version

Version Comments

Editor

Change Date

9
admin
Thu Aug 05 00:41:19 EDT 2021

Molecular Formula C2HF3O2
Molecular Weight 114.0233
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C74H100ClN15O14
Molecular Weight 1459.131
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 3
Optical Activity UNSPECIFIED