AVORELIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H85N17O12
Molecular Weight	1296.4771
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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](CC2=C(C)NC3=C2C=CC=C3)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=HJNZCKLMRAOTMA-BRBGIFQRSA-N

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:48:30 UTC 2023` Edited by `admin` on `Fri Dec 15 18:48:30 UTC 2023`
Record UNII	FSB5837STQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVORELIN

Official Name

English

EP-23904

Code

English

METERELIN

Common Name

English

1-9-LUTEINIZING HORMONE-RELEASING FACTOR (SWINE), 6-(2-METHYL-D-TRYPTOPHAN)-9-(N-ETHYL-L-PROLINAMIDE)-

Common Name

English

avorelin [INN]

Common Name

English

5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-2-METHYL-D-TRYPTOPHYL-L-LEUCYL-L-ARGINYL-N-ETHYL-L-PROLINAMIDE

Common Name

English

MF-6001

Code

English

Avorelin [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1910