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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H36ClN5O7
Molecular Weight 674.143
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GANIRELIX 1-4 PEPTIDE

SMILES

CC(=O)N[C@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)N[C@H](CC3=CC=C(Cl)C=C3)C(=O)N[C@H](CC4=CN=CC=C4)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=KADGKBURVQMYLB-VTMRUAGOSA-N
InChI=1S/C35H36ClN5O7/c1-21(43)38-28(17-23-8-11-25-6-2-3-7-26(25)15-23)32(44)39-29(16-22-9-12-27(36)13-10-22)33(45)40-30(18-24-5-4-14-37-19-24)34(46)41-31(20-42)35(47)48/h2-15,19,28-31,42H,16-18,20H2,1H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H,47,48)/t28-,29-,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H36ClN5O7
Molecular Weight 674.143
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:17:21 GMT 2025
Edited
by admin
on Mon Mar 31 22:17:21 GMT 2025
Record UNII
JI8UK4P16N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEGARELIX, 1-4 PEPTIDE-
Preferred Name English
GANIRELIX 1-4 PEPTIDE
Common Name English
L-SERINE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDINYL)-D-ALANYL-
Systematic Name English
GANIRELIX, 1-4 PEPTIDE-
Common Name English
Code System Code Type Description
PUBCHEM
15429510
Created by admin on Mon Mar 31 22:17:21 GMT 2025 , Edited by admin on Mon Mar 31 22:17:21 GMT 2025
PRIMARY
CAS
208599-57-9
Created by admin on Mon Mar 31 22:17:21 GMT 2025 , Edited by admin on Mon Mar 31 22:17:21 GMT 2025
PRIMARY
FDA UNII
JI8UK4P16N
Created by admin on Mon Mar 31 22:17:21 GMT 2025 , Edited by admin on Mon Mar 31 22:17:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE