LUTRELIN ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H85N17O12.C2H4O2
Molecular Weight	1356.5291
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8

InChI

InChIKey=OINUCQGIZOLPSK-MCVNOWQXSA-N

InChI=1S/C65H85N17O12.C2H4O2/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-62(92)54(26-36(2)3)81(4)63(93)51(29-39-32-72-45-15-9-7-13-43(39)45)79-57(87)48(27-37-18-20-41(84)21-19-37)76-60(90)52(34-83)80-58(88)49(28-38-31-71-44-14-8-6-12-42(38)44)77-59(89)50(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46;1-2(3)4/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,86)(H,79,87)(H,80,88)(H4,66,67,70);1H3,(H,3,4)/t46-,47-,48-,49-,50-,51+,52-,53-,54-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C65H85N17O12
Molecular Weight	1296.4771
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	2
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://link.springer.com/book/10.1007/978-1-4757-2085-3 | https://www.genome.jp/dbget-bin/www_bget?dr:D04823

Lutrelin is an agonist of gonadotropin-releasing hormone receptor exerting antineoplastic properties.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:23:44 GMT 2023` Edited by `admin` on `Fri Dec 15 17:23:44 GMT 2023`
Record UNII	G137G5DMW7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LUTRELIN ACETATE

Official Name

English

WY-40,972

Code

English

LUTRELIN ACETATE [USAN]

Common Name

English

5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-TRYPTOPHYL-N-METHYL-L-LEUCYL-L-ARGINYL-N-ETHYL-L-PROLINAMIDE MONOACETATE (SALT)

Common Name

English

WY-40972

Code

English

LUTEINIZING HORMONE-RELEASING FACTOR (PIG), 6-D-TRYPTOPHAN-7-(N-METHYL-L-LEUCINE)-9-(N-ETHYL-L-PROLINAMIDE)-10-DEGLYCINAMIDE-, MONOACETATE (SALT)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1910