当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00931123 methyl,4-[(1R)-2-(cyclohexylamino)-1-[[(2R)-2,3-dihydro-1

ZINC00931123 methyl,4-[(1R)-2-(cyclohexylamino)-1-[[(2R)-2,3-dihydro-1

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:ZINC00931123 methyl,4-[(1R)-2-(cyclohexylamino)-1-[[(2R)-2,3-dihydro-1,,4-benzodioxine-2-carbonyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzoate,Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4COC5=CC=CC=C5O4,Isomeric SMILES
[Synonyms]
ZINC00931123
[Structure]
ZINC00931123 methyl,4-[(1R)-2-(cyclohexylamino)-1-[[(2R)-2,3-dihydro-1

[ Properties Computed from Structure]
Molecular Weight532.58428 [g/mol]
Molecular FormulaC30H32N2O7
XLogP4
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count9
Tautomer Count2
Exact Mass532.220951
MonoIsotopic Mass532.220951
Topological Polar Surface Area107
Heavy Atom Count39
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl
4-[(1R)-2-(cyclohexylamino)-1-[[(2R)-2,3-dihydro-1,
4-benzodioxine-2-carbonyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzoate
Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4COC5=CC=CC=C5O4
Isomeric SMILES: COC(=O)C1=CC=C(C=C1)[C@H](C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)[C@H]4COC5=
CC=CC=C5O4
InChI: InChI=1/C30H32N2O7/c1-36-30(35)21-15-13-20(14-16-21)27(28(33)31-22-8-3-
2-4-9-22)32(18-23-10-7-17-37-23)29(34)26-19-38-24-11-5-6-12-25(24)39-26/
h5-7,10-17,22,26-27H,2-4,8-9,18-19H2,1H3,(H,31,33)/t26-,27-/m1/s1/f/h31H

 
本文导航:
  • (1) ZINC00931123 methyl,4-[(1R)-2-(cyclohexylamino)-1-[[(2R)-2,3-dihydro-1
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注