Sermorelin acetate（CAS号：114466-38-5）

Sermelin Acetate 醋酸舍莫瑞林

基本信息

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CAS号

114466-38-5

分子式

C151H250N44O44S

分子量

3417.93 g/mol

基本物理性质

SMILES

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S(C)CC[C@@H](C(N[C@H](C(N[C@H](C(N)=O)CCCNC(=N)N)=O)CO)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CC(=O)O)NC([C@H](CCC(N)=O)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCCNC(=N)N)NC([C@H](C)NC([C@H](CO)NC([C@H](CC(C)C)NC([C@H](CCC(N)=O)NC(CNC([C@H](CC(C)C)NC([C@H](C(C)C)NC([C@H](CCCCN)NC([C@H](CCCNC(=N)N)NC([C@H](CC1C=CC(=CC=1)O)NC([C@H](CO)NC([C@H](CC(N)=O)NC([C@H]([C@@H](C)O)NC([C@H](CC1C=CC=CC=1)NC([C@H]([C@@H](C)CC)NC([C@H](C)NC([C@H](CC(=O)O)NC([C@H](C)NC([C@H](CC1C=CC(=CC=1)O)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.OC(C)=O

InChI

1S/C149H246N44O42S.C2H4O2/c1-20-77(13)116(191-122(211)81(17)168-132(221)104(66-113(204)205)178-121(210)79(15)167-123(212)88(152)62-84-39-43-86(198)44-40-84)145(234)185-102(63-83-32-23-22-24-33-83)138(227)193-118(82(18)197)146(235)186-103(65-111(155)202)137(226)189-108(71-196)142(231)182-101(64-85-41-45-87(199)46-42-85)136(225)175-93(38-31-56-165-149(161)162)126(215)174-91(35-26-28-53-151)131(220)190-115(76(11)12)143(232)184-97(58-72(3)4)124(213)166-68-112(203)170-94(47-49-109(153)200)128(217)180-100(61-75(9)10)135(224)188-106(69-194)140(229)169-80(16)120(209)172-92(37-30-55-164-148(159)160)125(214)173-90(34-25-27-52-150)127(216)179-99(60-74(7)8)134(223)181-98(59-73(5)6)133(222)176-95(48-50-110(154)201)129(218)183-105(67-114(206)207)139(228)192-117(78(14)21-2)144(233)177-96(51-57-236-19)130(219)187-107(70-195)141(230)171-89(119(156)208)36-29-54-163-147(157)158;1-2(3)4/h22-24,32-33,39-46,72-82,88-108,115-118,194-199H,20-21,25-31,34-38,47-71,150-152H2,1-19H3,(H2,153,200)(H2,154,201)(H2,155,202)(H2,156,208)(H,166,213)(H,167,212)(H,168,221)(H,169,229)(H,170,203)(H,171,230)(H,172,209)(H,173,214)(H,174,215)(H,175,225)(H,176,222)(H,177,233)(H,178,210)(H,179,216)(H,180,217)(H,181,223)(H,182,231)(H,183,218)(H,184,232)(H,185,234)(H,186,235)(H,187,219)(H,188,224)(H,189,226)(H,190,220)(H,191,211)(H,192,228)(H,193,227)(H,204,205)(H,206,207)(H4,157,158,163)(H4,159,160,164)(H4,161,162,165);1H3,(H,3,4)/t77-,78-,79-,80-,81-,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-;/m0./s1

InChIKey

BVLCEKWPOSAKSZ-YQMCHIOTSA-N

LogP

5.07090

拓扑极性表面积

1484.199999999998 Å²

氢键供体/受体

63 / 88

复杂度

7670

同义词与引用数据

英文

1-29-Somatoliberin(human pancreatic islet), 29-L-argininamide-, acetate (salt), hydrate (9CI)
SERMELIN ACETATE
Sermorelin Acetate
Sermorelin
29-L-Argininamide-30-de-L-glutamine-31-de-L-glutamine-32-deglycine-33-de-L-glutamic acid-34-de-L-serine-35-de-L-asparagine-36-de-L-glutamine-37-de-L-glutamic acid-38-de-L-arginine-39-deglycine-40-de-L-alanine-41-de-L-arginine-42-de-L-alanine-43-de-L-arginine-44-de-L-leucinamidegrowth hormone-releasing factor (human pancreatic islet), acetate (salt), hydrate
Geref
Growth hormone-releasing factor (human)-(1-29)-peptide amide, acetate (s
Sermorelin acetate [USAN]
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