Structure & Deep Data of Didansylcystine (C30H34N4O8S4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Didansylcystine molecule contains a total of 83 bond(s). There are 49 non-H bond(s), 28 multiple bond(s), 15 rotatable bond(s), 6 double bond(s), 22 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 carboxylic acid(s) (aliphatic), 2 tertiary amine(s) (aromatic), 2 hydroxyl group(s), 1 disulfide(s), and 2 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of Didansylcystine are given below:

The 2D chemical structure image of Didansylcystine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Didansylcystine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Didansylcystine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Didansylcystine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Didansylcystine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Didansylcystine

  The SMILES string of Didansylcystine is CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CSSCC(NS(=O)(=O)c3cccc4c(cccc34)N(C)C)C(O)=O)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Didansylcystine.

• Structure Data File (SDF/MOL File) of Didansylcystine

  The structure data file (SDF/MOL File) of Didansylcystine is available for download in the SDF page of Didansylcystine, which provides the information about the atoms, bonds, connectivity and coordinates of Didansylcystine. The Didansylcystine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Didansylcystine

  The molecular formula of Didansylcystine is available in chemical formula page of Didansylcystine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Didansylcystine

  The molecular weight of Didansylcystine is available in molecular weight page of Didansylcystine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Didansylcystine

  The Didansylcystine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Didansylcystine including the various registry numbers, if available:

  • (2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid
  • L-Cystine, N,N'-bis((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-
  • AR-1K1647
  • 18468-46-7
  • Di-(dansyl)cystine
  • n,n'-bis{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-cystine
  • Didansylcystine

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Didansylcystine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Didansylcystine?
C30H34N4O8S4
How many atoms and what are the elements included the Didansylcystine molecule?
80 atom(s) - 34 Hydrogen atom(s), 30 Carbon atom(s), 4 Nitrogen atom(s), 8 Oxygen atom(s), and 4 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Didansylcystine structure?
83 bond(s) - 49 non-H bond(s), 28 multiple bond(s), 15 rotatable bond(s), 6 double bond(s), 22 aromatic bond(s), 4 six-membered ring(s), 2 ten-membered ring(s), 2 carboxylic acid(s) (aliphatic), 2 tertiary amine(s) (aromatic), 2 hydroxyl group(s), 1 disulfide(s), and 2 sulfonamide(s) (thio-/dithio-)
What’s the Didansylcystine’s molecular weight?
706.87296 g/mol
What’s the SMILES code of Didansylcystine?
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(CSSCC(NS(=O)(=O)c3cccc4c(cccc34)N(C)C)C(O)=O)C(O)=O
What’s the InChI string of Didansylcystine?
InChI=1S/C30H34N4O8S4/c1-33(2)25-13-5-11-21-19(25)9-7-15-27(21)45(39,40)31-23(29(35)36)17-43-44-18-24(30(37)38)32-46(41,42)28-16-8-10-20-22(28)12-6-14-26(20)34(3)4/h5-16,23-24,31-32H,17-18H2,1-4H3,(H,35,36)(H,37,38)/t23-,24?/m0/s1
What’s the InChIKey code of Didansylcystine?
MGNAZESEUVNMRR-UXMRNZNESA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).