(3S)-4-[[(4R,7S)-4-[N-[(2S,3R)-1-[2-[(2S)-1-[[(4S,7R,13R,16S,19R)-7-(4-aminobutyl)-16-(3-carbamimidamidopropyl)-6,9,12,15,18-pentahydroxy-4-(C-hydroxycarbonimidoyl)-13-(hydroxymethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-19-yl]imino]-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]-6-hydroxy-3,4,7,8-tetrahydro-1,2,5-dithiazocin-7-yl]imino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10R,16R,22R,25S)-25-amino-7,16,22-tris(4-aminobutyl)-6,9,12,15,18,21,24-heptahydroxy-10-methyl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosa-5,8,11,14,17,20,23-heptaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-4-hydroxybutanoic 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

(3S)-4-[[(4R,7S)-4-[N-[(2S,3R)-1-[2-[(2S)-1-[[(4S,7R,13R,16S,19R)-7-(4-aminobutyl)-16-(3-carbamimidamidopropyl)-6,9,12,15,18-pentahydroxy-4-(C-hydroxycarbonimidoyl)-13-(hydroxymethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-19-yl]imino]-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]-6-hydroxy-3,4,7,8-tetrahydro-1,2,5-dithiazocin-7-yl]imino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10R,16R,22R,25S)-25-amino-7,16,22-tris(4-aminobutyl)-6,9,12,15,18,21,24-heptahydroxy-10-methyl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosa-5,8,11,14,17,20,23-heptaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-4-hydroxybutanoic acid

英文别名

——

(3S)-4-[[(4R,7S)-4-[N-[(2S,3R)-1-[2-[(2S)-1-[[(4S,7R,13R,16S,19R)-7-(4-aminobutyl)-16-(3-carbamimidamidopropyl)-6,9,12,15,18-pentahydroxy-4-(C-hydroxycarbonimidoyl)-13-(hydroxymethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosa-5,8,11,14,17-pentaen-19-yl]imino]-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]-6-hydroxy-3,4,7,8-tetrahydro-1,2,5-dithiazocin-7-yl]imino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(4R,7S,10R,16R,22R,25S)-25-amino-7,16,22-tris(4-aminobutyl)-6,9,12,15,18,21,24-heptahydroxy-10-methyl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosa-5,8,11,14,17,20,23-heptaen-4-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-4-hydroxybutanoic acid化学式

CAS

——

化学式

C₁₀₂H₁₇₂N₃₆O₃₂S₇

mdl

——

分子量

2639.2

InChiKey

KNJNGVKTAFTUFL-OCMUWRIYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-15.1
重原子数：

177
可旋转键数：

62
环数：

4.0
sp3杂化的碳原子比例：

0.67
拓扑面积：

1310
氢给体数：

42
氢受体数：

46

同类化合物

（-）-N-[（2S，3R）-3-氨基-2-羟基-4-苯基丁酰基]-L-亮氨酸甲酯鹅肌肽硝酸盐非诺贝特杂质C 霜霉灭阿洛西克阿沙克肽阿拉泊韦门冬氨酸缩合物铬酸酯(1-),二[3-[(4,5-二氢-3-甲基-5-羰基-1-苯基-1H-吡唑-4-基)偶氮]-4-羟基-N-苯基苯磺酰氨酸根(2-)]-,钠钠(6S,7S)-3-(乙酰氧基甲基)-8-氧代-7-[(1H-四唑-1-基乙酰基)氨基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸酯金刚西林醋酸胃酶抑素酪蛋白酪氨酰-脯氨酰-N-甲基苯丙氨酰-脯氨酰胺透肽菌素A 连氮丝菌素远霉素达福普丁甲磺酸复合物达帕托霉素辛基[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12,15-二[(2S)-丁烷-2-基]-24-(4-甲氧苄基)-2,8,11,14,20,27-六甲基-1,4,7,10,13,16,19,22,25,28-十羰基-3,6,21-三(丙烷-2-基)三十二氢吡啶并[1,2-d][1,4,7,10,13,16,19,22,25,28]氧杂九氮杂环三十碳十五烯并谷胱甘肽磺酸酯谷氨酰-天冬氨酸表面活性肽葫芦脲水合物葫芦[7]脲葚孢霉酯I 荧光减除剂(OBA) 苯甲基3-氨基-3-脱氧-α-D-吡喃甘露糖苷盐酸苯唑西林钠单水合物苯乙胺,b-氟-a,b-二苯基- 苯乙胺,4-硝基-,共轭单酸(9CI) 苯丙氨酰-甘氨酰-缬氨酰-苄氧喹甲酯-丙氨酰-苯基丙氨酸甲酯苯丙氨酰-甘氨酰-组氨酰-苄氧喹甲酯-丙氨酰-苯基丙氨酸甲酯苯丙氨酰-beta-丙氨酸苯丁抑制素盐酸盐苄氧羰基-甘氨酰-肌氨酸芴甲氧羰基-4-叔丁酯-L-天冬氨酸-(2-羟基-4-甲氧基)苄基-甘氨酸艾默德斯腐草霉素脲-甲醛氨酸酯(1:1:1) 胃酶抑素 A 肠螯素铁肌肽盐酸盐肌氨酰-肌氨酸聚普瑞锌杂质7 罗米地辛缬氨霉素绿僵菌素D 绿僵菌素C 绿僵菌素 B

分子结构分类

计算性质

同类化合物

相关结构分类

热门分子