(4R,7S,10S,13S,19S,22S,31S,34S,37S,40S,43S,46S,52S,55S,58S,61S,64R)-64-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10S,13S,19R)-13-(4-aminobutyl)-19-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-6,9,12,15,18-pentahydroxy-7-(hydroxymethyl)-10-(1H-imidazol-5-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxybutylidene]amino]-7-(4-aminobutyl)-58,61-bis[(2S)-butan-2-yl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63-icosahydroxy-31-[(1R)-1-hydroxyethyl]-13,52,55-tris(2-hydroxy-2-iminoethyl)-19-(3-hydroxy-3-iminopropyl)-10,22-bis(1H-imidazol-5-ylmethyl)-37-(1H-indol-3-ylmethyl)-34,40,46-trimethyl-43-(2-methylsulfanylethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-icosazacyclopentahexaconta-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-icosaene-4-carboxylic acid

分子结构分类

有机化合物 - 有机酸及其衍生物 - 肽模拟物

中文名称

——

中文别名

——

英文名称

(4R,7S,10S,13S,19S,22S,31S,34S,37S,40S,43S,46S,52S,55S,58S,61S,64R)-64-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10S,13S,19R)-13-(4-aminobutyl)-19-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-6,9,12,15,18-pentahydroxy-7-(hydroxymethyl)-10-(1H-imidazol-5-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxybutylidene]amino]-7-(4-aminobutyl)-58,61-bis[(2S)-butan-2-yl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63-icosahydroxy-31-[(1R)-1-hydroxyethyl]-13,52,55-tris(2-hydroxy-2-iminoethyl)-19-(3-hydroxy-3-iminopropyl)-10,22-bis(1H-imidazol-5-ylmethyl)-37-(1H-indol-3-ylmethyl)-34,40,46-trimethyl-43-(2-methylsulfanylethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-icosazacyclopentahexaconta-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-icosaene-4-carboxylic acid

英文别名

——

(4R,7S,10S,13S,19S,22S,31S,34S,37S,40S,43S,46S,52S,55S,58S,61S,64R)-64-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10S,13S,19R)-13-(4-aminobutyl)-19-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-hydroxyhexylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyethylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-6,9,12,15,18-pentahydroxy-7-(hydroxymethyl)-10-(1H-imidazol-5-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxybutylidene]amino]-7-(4-aminobutyl)-58,61-bis[(2S)-butan-2-yl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63-icosahydroxy-31-[(1R)-1-hydroxyethyl]-13,52,55-tris(2-hydroxy-2-iminoethyl)-19-(3-hydroxy-3-iminopropyl)-10,22-bis(1H-imidazol-5-ylmethyl)-37-(1H-indol-3-ylmethyl)-34,40,46-trimethyl-43-(2-methylsulfanylethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-icosazacyclopentahexaconta-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62-icosaene-4-carboxylic acid化学式

CAS

——

化学式

C₁₉₆H₂₉₃N₆₁O₆₀S₅

mdl

——

分子量

4624.0

InChiKey

ZRUMXHGBGLWVDT-SJMRFLIKSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-20.9
重原子数：

322
可旋转键数：

95
环数：

11.0
sp3杂化的碳原子比例：

0.56
拓扑面积：

2080
氢给体数：

68
氢受体数：

73

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