Structure & Deep Data of SEGETALIN B (C24H32N6O5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The SEGETALIN B molecule contains a total of 69 bond(s). There are 37 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 5 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 5 secondary amide(s) (aliphatic), and 1 Pyrrole(s). Images of the chemical structure of SEGETALIN B are given below:

The 2D chemical structure image of SEGETALIN B is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of SEGETALIN B 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 SEGETALIN B 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 SEGETALIN B. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying SEGETALIN B Molecule

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

  The SMILES string of SEGETALIN B is CC(C)C3NC(=O)CNC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC3=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the SEGETALIN B.

• Structure Data File (SDF/MOL File) of SEGETALIN B

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

• Chemical formula of SEGETALIN B

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

• Molecular weight of SEGETALIN B

  The molecular weight of SEGETALIN B is available in molecular weight page of SEGETALIN B, 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 SEGETALIN B

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

  • SEGETALIN B

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SEGETALIN B Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of SEGETALIN B?
C24H32N6O5
How many atoms and what are the elements included the SEGETALIN B molecule?
67 atom(s) - 32 Hydrogen atom(s), 24 Carbon atom(s), 6 Nitrogen atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the SEGETALIN B structure?
69 bond(s) - 37 non-H bond(s), 15 multiple bond(s), 3 rotatable bond(s), 5 double bond(s), 10 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 5 secondary amide(s) (aliphatic), and 1 Pyrrole(s)
What’s the SEGETALIN B’s molecular weight?
484.54808 g/mol
What’s the SMILES code of SEGETALIN B?
CC(C)C3NC(=O)CNC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC3=O
What’s the InChI string of SEGETALIN B?
InChI=1S/C24H32N6O5/c1-12(2)20-24(35)28-14(4)22(33)29-18(9-15-10-25-17-8-6-5-7-16(15)17)23(34)27-13(3)21(32)26-11-19(31)30-20/h5-8,10,12-14,18,20,25H,9,11H2,1-4H3,(H,26,32)(H,27,34)(H,28,35)(H,29,33)(H,30,31)/t13-,14-,18-,20-/m0/s1
What’s the InChIKey code of SEGETALIN B?
VBQDUSUKSGAFMN-OACKDKIBSA-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).