Structure & Deep Data of Substance P, BPA(8)- (C70H102N18O14S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Substance P, BPA(8)- molecule contains a total of 209 bond(s). There are 107 non-H bond(s), 33 multiple bond(s), 44 rotatable bond(s), 15 double bond(s), 18 aromatic bond(s), 2 five-membered ring(s), 3 six-membered ring(s), 3 primary amide(s) (aliphatic), 8 secondary amide(s) (aliphatic), 2 tertiary amide(s) (aliphatic), 1 ketone(s) (aromatic), 1 guanidine derivative(s), 4 primary amine(s) (aliphatic), 1 sulfide(s), and 2 Pyrrolidine(s). Images of the chemical structure of Substance P, BPA(8)- are given below:

The 2D chemical structure image of Substance P, BPA(8)- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Substance P, BPA(8)- 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 Substance P, BPA(8)- 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 Substance P, BPA(8)-. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Substance P, BPA(8)- Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Substance P, BPA(8)-

  The SMILES string of Substance P, BPA(8)- is CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C5CCCN5C(=O)C(N)CCCN=C(N)N)C(N)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Substance P, BPA(8)-.

• Structure Data File (SDF/MOL File) of Substance P, BPA(8)-

  The structure data file (SDF/MOL File) of Substance P, BPA(8)- is available for download in the SDF page of Substance P, BPA(8)-, which provides the information about the atoms, bonds, connectivity and coordinates of Substance P, BPA(8)-. The Substance P, BPA(8)- structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Substance P, BPA(8)-

  The molecular formula of Substance P, BPA(8)- is available in chemical formula page of Substance P, BPA(8)-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Substance P, BPA(8)-

  The molecular weight of Substance P, BPA(8)- is available in molecular weight page of Substance P, BPA(8)-, 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 Substance P, BPA(8)-

  The Substance P, BPA(8)- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Substance P, BPA(8)- including the various registry numbers, if available:

  • Substance P, 8-(4-benzoyl-L-phenylalanine)-
  • 8-(p-Benzoyl-L-phenylalanine)-substance P
  • 8-(4-Benzoyl-L-phenylalanine)substance P
  • Substance P, benzoylphenylalanyl(8)-
  • Bpa(8)-SP
  • 8-BPA-substance P
  • 130409-05-1
  • Substance P, BPA(8)-

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Substance P, BPA(8)- Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Substance P, BPA(8)-?
C70H102N18O14S
How many atoms and what are the elements included the Substance P, BPA(8)- molecule?
205 atom(s) - 102 Hydrogen atom(s), 70 Carbon atom(s), 18 Nitrogen atom(s), 14 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Substance P, BPA(8)- structure?
209 bond(s) - 107 non-H bond(s), 33 multiple bond(s), 44 rotatable bond(s), 15 double bond(s), 18 aromatic bond(s), 2 five-membered ring(s), 3 six-membered ring(s), 3 primary amide(s) (aliphatic), 8 secondary amide(s) (aliphatic), 2 tertiary amide(s) (aliphatic), 1 ketone(s) (aromatic), 1 guanidine derivative(s), 4 primary amine(s) (aliphatic), 1 sulfide(s), and 2 Pyrrolidine(s)
What’s the Substance P, BPA(8)-’s molecular weight?
1451.73608 g/mol
What’s the SMILES code of Substance P, BPA(8)-?
CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C5CCCN5C(=O)C(N)CCCN=C(N)N)C(N)=O
What’s the InChI string of Substance P, BPA(8)-?
InChI=1S/C70H102N18O14S/c1-41(2)37-51(64(97)81-47(60(75)93)31-36-103-3)80-58(91)40-79-61(94)52(39-43-23-25-45(26-24-43)59(92)44-17-8-5-9-18-44)85-65(98)53(38-42-15-6-4-7-16-42)86-63(96)48(27-29-56(73)89)82-62(95)49(28-30-57(74)90)83-66(99)55-22-14-35-88(55)69(102)50(20-10-11-32-71)84-67(100)54-21-13-34-87(54)68(101)46(72)19-12-33-78-70(76)77/h4-9,15-18,23-26,41,46-55H,10-14,19-22,27-40,71-72H2,1-3H3,(H2,73,89)(H2,74,90)(H2,75,93)(H,79,94)(H,80,91)(H,81,97)(H,82,95)(H,83,99)(H,84,100)(H,85,98)(H,86,96)(H4,76,77,78)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
What’s the InChIKey code of Substance P, BPA(8)-?
ZQMKXQSZKNGIBC-CXLWOFLVSA-N

21 The contents of this page can freely be shared if cited as follows:
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).