3-[(aS,1R,3aS,4S,6aS,7R,9aS,10S,12aS,13S,16S,19S,22S,28S,31R,34S,37S,40S,46S,52S,55S,58S,61R,67S,70S,73R,76S,79S,82S,88S,91S,94R,97S)-34-(4-aminobutyl)-58-benzyl-82-[(2S)-butan-2-yl]-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,53,56,59,62,65,68,71,74,77,80,89,92,95,98-pentatriacontahydroxy-4,55,70,97-tetrakis[(1R)-1-hydroxyethyl]-40-(2-hydroxy-2-iminoethyl)-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-47,83-dioxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahecta-1a(2a),2,4a(5a),5,7a(8a),8,10a(11a),11,13a(14a),14,16a(17a),17,20,23,26,29,32,35,38,41,44,53,56,59,62,65,68,71,74,77,80,89,92,95,98-pentatriacontaen-67-yl]propanoic acid

分子结构分类

有机化合物 - 有机聚合物 - 多肽

中文名称

——

中文别名

——

英文名称

3-[(aS,1R,3aS,4S,6aS,7R,9aS,10S,12aS,13S,16S,19S,22S,28S,31R,34S,37S,40S,46S,52S,55S,58S,61R,67S,70S,73R,76S,79S,82S,88S,91S,94R,97S)-34-(4-aminobutyl)-58-benzyl-82-[(2S)-butan-2-yl]-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,53,56,59,62,65,68,71,74,77,80,89,92,95,98-pentatriacontahydroxy-4,55,70,97-tetrakis[(1R)-1-hydroxyethyl]-40-(2-hydroxy-2-iminoethyl)-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-47,83-dioxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahecta-1a(2a),2,4a(5a),5,7a(8a),8,10a(11a),11,13a(14a),14,16a(17a),17,20,23,26,29,32,35,38,41,44,53,56,59,62,65,68,71,74,77,80,89,92,95,98-pentatriacontaen-67-yl]propanoic acid

英文别名

——

CAS

——

化学式

C₁₅₉H₂₄₈N₄₈O₅₅S₆

mdl

——

分子量

3904.4

InChiKey

CFRTULIKXDWFLG-AGMMIYIUSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-14.2
重原子数：

268
可旋转键数：

50
环数：

8.0
sp3杂化的碳原子比例：

0.64
拓扑面积：

1790
氢给体数：

58
氢受体数：

65

同类化合物

鼠心房利钠尿肽(126-150) 黑色素聚集激酶素(MCH) 黄体酮-释放因子II 黄体生成素释放激素黄体生成素-释放激素鲑鱼促性腺激素释放激素高氯酸3-甲基-2-[(E)-[3-[(Z)-(3-甲基噻唑烷-2-亚基)甲基]环己-2-烯-1-亚基]甲基]-4,5-二氢噻唑-3-正离子髓磷脂碱性蛋白（4-14）（N-乙酰化）骨胶原型号IVα1(531-543) 颗粒释放肽R 预重组信号序列肽降钙素,猪阿那立肽阿肽加定阿维降钙素阿朴脂蛋白B碎片3358-3372*酰胺阿巴帕肽铂,二氯[4,4'-(1-三氮烯-1,3-二基)二[苯碳杂氧杂脒]]-,二盐酸,(SP-4-3)-(9CI) 钴啉醇酰胺,Co-(氰基-kC)-,磷酸(酯),内盐,3'-酯和(1,3-二氢-5,6-二甲基-1-a-D-呋喃核糖基-2H-苯并咪唑-2-酮-2-14C-kN3)(9CI)二氢钙调神经磷酸酶底物钙调磷酸酶自抑制片段钙调磷酸酶自抑制片段钙绿钙抑肽重组人表皮生长因子醋酸西曲瑞克醋酸西曲瑞克醋酸西曲瑞克醋酸萘法瑞林醋酸胰泌素醋酸替可克肽醋酸曲普瑞林醋酸普兰林肽醋酸强啡肽A(1-13) 醋酸地加瑞克醋酸利那洛肽醋酸促黄体素释放激素醋酸依降钙素酰基载体蛋白 (65-74) 酪蛋白激酶I底物过氧化氢,7-氧杂二环[4.1.0]庚-2-基(9CI) 角蝰毒素S6c 角蝰毒素S6b 角朊毒素B 西那普肽西曲瑞克三氟乙酸盐表皮生长因子血纤维蛋白肽B 血纤维蛋白肽A(人) 血管舒缓激肽-增强肽C

分子结构分类

计算性质

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