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Details

Stereochemistry ABSOLUTE
Molecular Formula C55H67ClN10O10
Molecular Weight 1063.6365
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GANIRELIX 1-6 PEPTIDE

SMILES

CCNC(=NCC)NCCCC[C@]([H])(C(=O)O)N=C([C@]([H])(Cc1ccc(cc1)O)N=C([C@]([H])(CO)N=C([C@@]([H])(Cc2cccnc2)N=C([C@@]([H])(Cc3ccc(cc3)Cl)N=C([C@@]([H])(Cc4ccc5ccccc5c4)N=C(C)O)O)O)O)O)O

InChI

InChIKey=WNKISAUPMCLQAQ-WXWGUTDSSA-N
InChI=1S/C55H67ClN10O10/c1-4-58-55(59-5-2)60-26-9-8-14-43(54(75)76)62-50(71)45(29-36-18-23-42(69)24-19-36)65-53(74)48(33-67)66-52(73)47(31-38-11-10-25-57-32-38)64-51(72)46(28-35-16-21-41(56)22-17-35)63-49(70)44(61-34(3)68)30-37-15-20-39-12-6-7-13-40(39)27-37/h6-7,10-13,15-25,27,32,43-48,67,69H,4-5,8-9,14,26,28-31,33H2,1-3H3,(H,61,68)(H,62,71)(H,63,70)(H,64,72)(H,65,74)(H,66,73)(H,75,76)(H2,58,59,60)/t43-,44-,45+,46-,47-,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula C55H67ClN10O10
Molecular Weight 1063.6365
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:45:56 UTC 2021
Edited
by admin
on Sat Jun 26 00:45:56 UTC 2021
Record UNII
18II857YI9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GANIRELIX 1-6 PEPTIDE
Common Name English
N2-((R)-2-((R)-2-((R)-2-ACETAMIDO-3-(NAPHTHALEN-2-YL)PROPANAMIDO)-3-(4-CHLOROPHENYL)PROPANAMIDO)-3-(PYRIDIN-3-YL)PROPANOYL)-L-SERYL-L-TYROSYL-N6-(BIS(ETHYLAMINO)METHYLENE)-D-LYSINE
Systematic Name English
N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-L-TYROSYL-N9,N10-DIETHYL-D-HOMOARGININE
Systematic Name English
GANIRELIX, 1-6 PEPTIDE-
Common Name English
Code System Code Type Description
PUBCHEM
91800030
Created by admin on Sat Jun 26 00:45:56 UTC 2021 , Edited by admin on Sat Jun 26 00:45:56 UTC 2021
PRIMARY
FDA UNII
18II857YI9
Created by admin on Sat Jun 26 00:45:56 UTC 2021 , Edited by admin on Sat Jun 26 00:45:56 UTC 2021
PRIMARY
Related Record Type Details
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MAJOR
FECAL