5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide acetate (1:1)（CAS号：82318-06-7）

德舍瑞林乙

基本信息

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CAS号

82318-06-7

分子式

C66H87N17O14

分子量

1342.53 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O

InChI

InChI=1S/C64H83N17O12.C2H4O2/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45;1-2(3)4/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69);1H3,(H,3,4)/t45-,46-,47-,48-,49+,50-,51-,52-,53-;/m0./s1

InChIKey

LYCYLGFSIXIXAB-NUZRHMIVSA-N

LogP

-0.6693000000000016

拓扑极性表面积

484.6299999999999 Å²

氢键供体/受体

19 / 31

复杂度

2640

同义词与引用数据

英文

Bachem 9022 Acetate
CAS-82318-06-7
L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-N-ethyl-,?acetate (1:1)
Q27264098
(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6,15-bis((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide acetate
DESLORELIN ACETATE [WHO-DD]
Tox21_112514
MFCD09842868
DESLORELIN ACETATE [EMA EPAR VETERINARY]
SUPRELORIN
CHEMBL2357192
deslorelin acetate
DTXSID1046683
(Des-Gly10,D-Trp6,Pro-NHEt9)-LHRH High acetate salt
UNII-679007NR5C
(D-TRP(SUP 6),DES-GLY(SUP 10))-LH-RH ETHYLAMIDE ACETATE
NS00134281
DESLORELIN ACETATE [GREEN BOOK]
679007NR5C
DESLORELIN ACETATE [MI]
Deslorelin acetate(57773-65-6 free base)
82318-06-7 (acetate)
DESLORELIN ACETATE (EMA EPAR VETERINARY)
Suprelorin F
Deslorelin (acetate)
NCGC00167516-01
Deslorelin acetate 100 microg/mL in Acetonitrile:Methanol
82318-06-7
1642579-30-3
DTXCID9026683
5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-TRYPTOPHYL-L-LEUCYL-L-ARGINYL-N-ETHYL-L-PROLINAMIDE ACETATE