当前位置: 首页 » 资料 » 化学物质数据库 » ZINC02943512,,, :Molecular Weight315.3007 [g/mol]Molecular FormulaC1

ZINC02943512,,, :Molecular Weight315.3007 [g/mol]Molecular FormulaC1

放大字体  缩小字体 更新日期:2016-02-10  浏览次数:1
摘 要:ZINC02943512,,, :Molecular Weight315.3007 [g/mol]Molecular FormulaC16H15N2O5-H-Bond Donor2H-Bond Acceptor5Rotatable Bond Count5Tautomer Count5Exact Mass315.098097MonoIsotopic Mass315.098097Topological Polar Surface Area112Heavy Atom Count23Formal C
[Synonyms]
ZINC02943512


Properties Computed from Structure:Molecular Weight315.3007 [g/mol]Molecular FormulaC16H15N2O5-H-Bond Donor2H-Bond Acceptor5Rotatable Bond Count5Tautomer Count5Exact Mass315.098097MonoIsotopic Mass315.098097Topological Polar Surface Area112Heavy Atom Count23Formal Charge-1Complexity448Isotope Atom Count0Defined Atom StereoCenter Count1Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
Canonical SMILES: CCC(C(=O)[O-])NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2
Isomeric SMILES: CC[C@@H](C(=O)[O-])NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2
InChI: InChI=1/C16H16N2O5/c1-2-11(16(21)22)17-14(19)10-6-3-4-7-12(10)18-15(20)
13-8-5-9-23-13/h3-9,11H,2H2,1H3,(H,17,19)(H,18,20)(H,21,
22)/p-1/t11-/m0/s1/fC16H15N2O5/h17-18H/q-1


Compound Info:CID: 2266079  Create Date: 2005-07-15Parent CID: 2266080
Related Compounds:
Same, Connectivity: 3 Links

Similar Compounds: 2429 Links


Substance Info:Substances: 2 Links

Category: [for same structure substances]Substance Vendors: 2 Links
   ChemSpider ( 1 )
SID: 33033338 - External ID: 1694031
   ZINC ( 1 )
SID: 2675821 - External ID: ZINC02943512

Theoretical Properties: 1 Link
   ZINC ( 1 )
SID: 2675821 - External ID: ZINC02943512

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2266079Molecular Weight315.3007 [g/mol]Molecular FormulaC16H15N2O5-H-Bond Donor2H-Bond Acceptor5  Links
Chemical Structure Search

 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility var gaJsHost = (("https:" == document.location.protocol) ? "https://www." : "http://www."); document.write(unescape("%3Cscript src='" + gaJsHost + "ncbi.nlm.nih.gov/Structure/ga.js' type='text/javascript'%3E%3C/script%3E"));var pageTracker = _gat._getTracker("UA-4307947-1"); pageTracker._initData(); pageTracker._trackPageview();
[Structure]
ZINC02943512,,,   :Molecular Weight315.3007 [g/mol]Molecular FormulaC1

[ Properties Computed from Structure]
Molecular Weight315.3007 [g/mol]
Molecular FormulaC16H15N2O5-
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count5
Exact Mass315.098097
MonoIsotopic Mass315.098097
Topological Polar Surface Area112
Heavy Atom Count23
Formal Charge-1
Complexity448
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
Canonical SMILES: CCC(C(=O)[O-])NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2
Isomeric SMILES: CC[C@@H](C(=O)[O-])NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CO2
InChI: InChI=1/C16H16N2O5/c1-2-11(16(21)22)17-14(19)10-6-3-4-7-12(10)18-15(20)
13-8-5-9-23-13/h3-9,11H,2H2,1H3,(H,17,19)(H,18,20)(H,21,
22)/p-1/t11-/m0/s1/fC16H15N2O5/h17-18H/q-1

 
本文导航:
  • (1) ZINC02943512,,, :Molecular Weight315.3007 [g/mol]Molecular FormulaC1
  • 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