24695-54-3 ((3Z)-1-({[2-氨基-5-(氨基甲酰氧基)-3,4-二羟基戊酰基]氨基}[3,4-二羟基-5-(5-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)四氢呋喃-2-基]乙酰基)-3-亚乙基氮杂环丁烷-2-羧酸(非优选名称),(3Z)-1-({[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]acetyl)-3-ethylideneazetidine-2-carboxylic acid (non-preferred name))

CAS号:
24695-54-3
中文名称:
(3Z)-1-({[2-氨基-5-(氨基甲酰氧基)-3,4-二羟基戊酰基]氨基}[3,4-二羟基-5-(5-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)四氢呋喃-2-基]乙酰基)-3-亚乙基氮杂环丁烷-2-羧酸(非优选名称)
英文名称:
(3Z)-1-({[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]acetyl)-3-ethylideneazetidine-2-carboxylic acid (non-preferred name)
分子式:
C23H32N6O13
分子量:
600.532586097717

(3Z)-1-({[2-氨基-5-(氨基甲酰氧基)-3,4-二羟基戊酰基]氨基}[3,4-二羟基-5-(5-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)四氢呋喃-2-基]乙酰基)-3-亚乙基氮杂环丁烷-2-羧酸(非优选名称)(24695-54-3)名称与标识符

名称

英文别名:
(3Z)-1-({[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]acetyl)-3-ethylideneazetidine-2-carboxylic acid (non-preferred name);LogP;(3Z)-1-({[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2;(3Z)-1-({[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]acetyl)-3-ethylideneazetidine-2-carboxylic acid ;(3Z)-1-[2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid;2-Azetidinecarboxylic acid, 1-(5-(2-amino-2-deoxy-L-xylonamido)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronyl)-3-ethylidene-, monocarbamate(ester), (E)-L-;24695-54-3;(S-(E))-1-(5-((2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl)-3-ethylidene-2-azetidinecarboxylic acid;2-Azetidinecarboxylic acid, 1-(5-((2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl)-3-ethylidene-, (S-(E))-;2-Azetidinecarboxylic acid, 1-[5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-allofuranuronoyl]-3-ethylidene-, (2S,3E)-;

标识符

InChIKey:
QRXHXAYQBZIPSH-BAQGIRSFSA-N
Inchi:
1S/C23H32N6O13/c1-3-8-5-28(12(8)21(37)38)19(36)11(26-18(35)10(24)13(31)9(30)6-41-22(25)39)16-14(32)15(33)20(42-16)29-4-7(2)17(34)27-23(29)40/h3-4,9-16,20,30-33H,5-6,24H2,1-2H3,(H2,25,39)(H,26,35)(H,37,38)(H,27,34,40)/b8-3-
SMILES:
O1C(C(C(C1C(C(N1C/C(=C/C)/C1C(=O)O)=O)NC(C(C(C(COC(N)=O)O)O)N)=O)O)O)N1C(NC(C(C)=C1)=O)=O

(3Z)-1-({[2-氨基-5-(氨基甲酰氧基)-3,4-二羟基戊酰基]氨基}[3,4-二羟基-5-(5-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)四氢呋喃-2-基]乙酰基)-3-亚乙基氮杂环丁烷-2-羧酸(非优选名称)(24695-54-3)物化性质

实验特性

  • 折射率 : 1.694
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.696

计算特性

  • 精确分子量 : 600.202735
  • 氢键供体数量 : 9
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 11
  • 同位素质量 : 600.202735
  • 重原子数量 : 42
  • 复杂度 : 1210
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 9
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -7.6
  • 拓扑分子极性表面积 : 305

(3Z)-1-({[2-氨基-5-(氨基甲酰氧基)-3,4-二羟基戊酰基]氨基}[3,4-二羟基-5-(5-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)四氢呋喃-2-基]乙酰基)-3-亚乙基氮杂环丁烷-2-羧酸(非优选名称)(24695-54-3)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
杭州六可生物科技有限公司 15658003402
0086-571-86912261
Susan 3671025517
询单