5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide（CAS号：76712-82-8）

组氨瑞林

基本信息

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CAS号

76712-82-8

分子式

C66H86N18O12

分子量

1323.53 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

沸点

1800.6°C at 760 mmHg

密度

1.46

闪点

1042.8°C

比旋光度

D20 -33.9° (c = 1 in acetic acid)

SMILES

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CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN(C=N2)CC3=CC=CC=C3)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

InChI

InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1

InChIKey

HHXHVIJIIXKSOE-QILQGKCVSA-N

LogP

-0.7870300000000028

拓扑极性表面积

446.8599999999999 Å²

氢键供体/受体

17 / 30

复杂度

2660

同义词与引用数据

英文

Supprelin
(Des-Gly10,D-His(Bzl)6,Pro-NHEt9)-LHRH
SCHEMBL22288995
H50H3S3W74
5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-NT-BENZYL-D-HISTIDYL-L-LEUCYL-L-ARGINYL-N-ETHYL-L-PROLINAMIDE
Luteinizing hormone-releasing factor (pig), 6-(1-(phenylmethyl)-D- histidine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-
HY-P0056
IBHPE-LHRH
imbzl-His(6), Pro(9)-NET-GNRH
Histrelinum (Latin)
histrelin
5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-Ntau-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N(sup tau)-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
((ImBl)-D-His(sub 6),Pro(sub 9)-NEt)LHRH
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N(sup tau)- benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
HISTRELIN [INN]
5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
HISTRELIN [USAN]
des-gly10,(D-his(bzl)6)-lh-rh*ethylamide
Histrelin (USAN/INN)
RWJ 17070
SCHEMBL19712198
D02369
L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-N(im)-benzyl-histidyl-L-leucyl-L-arginyl-L-proline ethylamide
HISTRELIN (MART.)
AKOS030573448
DTXCID00150034
RWJ-17070
GTPL3884
Histrelinum [Latin]
CHEBI:5739