[1-(5-oxo-D-proline)]buserelin

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

Structure Search

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

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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

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BUSERELIN

PARENT -> IMPURITY

Amount: