Amylin(human), 25-L-proline-28-L-proline-29-L-proline-, acetate (salt), hydrate (9CI)（CAS号：196078-30-5）

醋酸普兰林肽

基本信息

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CAS号

196078-30-5

分子式

C173H273N51O56S2

分子量

4027.46 g/mol

EINECS号

251-228-4

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

熔点

>175°C (dec.)

SMILES

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CCC(C(NC(C1N(C(CNC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(N)CCCCN)=O)CS)=O)CC(N)=O)=O)C(O)C)=O)C)=O)C(O)C)=O)CS)=O)C)=O)C(O)C)=O)CCC(N)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)C)=O)CC(N)=O)=O)CC2=CC=CC=C2)=O)CC(C)C)=O)C(C)C)=O)CC2N=CNC=2)=O)CO)=O)CO)=O)CC(N)=O)=O)CC(N)=O)=O)CC2=CC=CC=C2)=O)=O)CCC1)=O)C(NC(C(N1C(C(N2C(C(NC(C(NC(C(NC(C(NCC(NC(C(NC(C(NC(C(NC(C(N)=O)CC3=CC=C(O)C=C3)=O)C(O)C)=O)CC(N)=O)=O)CO)=O)=O)C(C)C)=O)CC(N)=O)=O)C(O)C)=O)CCC2)=O)CCC1)=O)CC(C)C)=O)C

InChI

InChI=1S/C171H269N51O53S2/c1-21-81(12)130(163(268)207-110(56-78(6)7)169(274)222-53-33-42-118(222)170(275)221-52-32-41-117(221)160(265)219-135(89(20)230)167(272)206-109(66-125(180)238)151(256)212-128(79(8)9)161(266)186-68-126(239)192-111(70-223)154(259)203-107(64-123(178)236)152(257)218-134(88(19)229)166(271)195-98(136(181)241)57-92-43-45-94(231)46-44-92)214-159(264)116-40-31-51-220(116)127(240)69-187-141(246)101(58-90-34-24-22-25-35-90)199-148(253)105(62-121(176)234)201-149(254)106(63-122(177)235)202-155(260)112(71-224)209-156(261)113(72-225)208-146(251)103(60-93-67-184-75-188-93)205-162(267)129(80(10)11)213-150(255)100(55-77(4)5)198-145(250)102(59-91-36-26-23-27-37-91)200-147(252)104(61-120(175)233)196-137(242)82(13)189-144(249)99(54-76(2)3)197-142(247)96(39-30-50-185-171(182)183)193-143(248)97(47-48-119(174)232)194-165(270)132(86(17)227)215-138(243)83(14)190-157(262)114(73-276)211-168(273)133(87(18)228)216-139(244)84(15)191-164(269)131(85(16)226)217-153(258)108(65-124(179)237)204-158(263)115(74-277)210-140(245)95(173)38-28-29-49-172/h22-27,34-37,43-46,67,75-89,95-118,128-135,223-231,276-277H,21,28-33,38-42,47-66,68-74,172-173H2,1-20H3,(H2,174,232)(H2,175,233)(H2,176,234)(H2,177,235)(H2,178,236)(H2,179,237)(H2,180,238)(H2,181,241)(H,184,188)(H,186,266)(H,187,246)(H,189,249)(H,190,262)(H,191,269)(H,192,239)(H,193,248)(H,194,270)(H,195,271)(H,196,242)(H,197,247)(H,198,250)(H,199,253)(H,200,252)(H,201,254)(H,202,260)(H,203,259)(H,204,263)(H,205,267)(H,206,272)(H,207,268)(H,208,251)(H,209,261)(H,210,245)(H,211,273)(H,212,256)(H,213,255)(H,214,264)(H,215,243)(H,216,244)(H,217,258)(H,218,257)(H,219,265)(H4,182,183,185)

InChIKey

NRKVKVQDUCJPIZ-UHFFFAOYSA-N

LogP

-3.45320

拓扑极性表面积

1690.6399999999992 Å²

氢键供体/受体

67 / 104

复杂度

9620

同义词与引用数据

英文

AMYLIN (HUMAN), 25-L-PROLINE-28-L-PROLINE-29-L-PROLINE-, ACETATE (SALT), HYDRATE
pramlintide acetate
pramlintide acetate hydrate
25-L-Proline-28-L-proline-29-L-proline-aMylin (huMan) Acetate Hydrate
AC-137 Acetate Hydrate, SyMlin Acetate Hydrate
Tripo-aMylin Acetate Hydrate
Pramlintide Acetate, Amylin Rat
Pramlintide?Acetate impurity
Pramlintide Acetate
Pramlintide
Pramlintide Acetate Hydrate