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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H86N16O13
Molecular Weight 1239.4242
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [1-(5-oxo-D-proline)]buserelin

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H]6CCC(=O)N6

InChI

InChIKey=CUWODFFVMXJOKD-UUVJJVFOSA-N
InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41+,42+,43+,44+,45+,46+,47-,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula C60H86N16O13
Molecular Weight 1239.4242
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:54 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:54 GMT 2023
Record UNII
US8F9M33MW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[1-(5-oxo-D-proline)]buserelin
Common Name English
BUSERELIN IMPURITY E [EP IMPURITY]
Common Name English
L-Prolinamide, 5-oxo-D-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-O-(1,1-dimethylethyl)-D-seryl-L-leucyl-L-arginyl-N-ethyl-
Systematic Name English
5-Oxo-D-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-O-(1,1-dimethylethyl)-D-seryl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
Systematic Name English
Code System Code Type Description
FDA UNII
US8F9M33MW
Created by admin on Sat Dec 16 19:49:54 GMT 2023 , Edited by admin on Sat Dec 16 19:49:54 GMT 2023
PRIMARY
PUBCHEM
132939778
Created by admin on Sat Dec 16 19:49:54 GMT 2023 , Edited by admin on Sat Dec 16 19:49:54 GMT 2023
PRIMARY
CAS
1926163-20-3
Created by admin on Sat Dec 16 19:49:54 GMT 2023 , Edited by admin on Sat Dec 16 19:49:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY