Structure & Deep Data of CS1 Peptide (C123H195N31O39)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The CS1 Peptide molecule contains a total of 394 bond(s). There are 199 non-H bond(s), 41 multiple bond(s), 80 rotatable bond(s), 31 double bond(s), 10 aromatic bond(s), 7 five-membered ring(s), 5 carboxylic acid(s) (aliphatic), 2 primary amide(s) (aliphatic), 19 secondary amide(s) (aliphatic), 5 tertiary amide(s) (aliphatic), 1 primary amine(s) (aliphatic), 8 hydroxyl group(s), 1 primary alcohol(s), 2 secondary alcohol(s), 5 Pyrrolidine(s), and 2 Imidazole(s). Images of the chemical structure of CS1 Peptide are given below:

The 2D chemical structure image of CS1 Peptide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of CS1 Peptide 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 CS1 Peptide 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 CS1 Peptide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying CS1 Peptide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of CS1 Peptide

  The SMILES string of CS1 Peptide is , which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the CS1 Peptide.

• Structure Data File (SDF/MOL File) of CS1 Peptide

  The structure data file (SDF/MOL File) of CS1 Peptide is available for download in the SDF page of CS1 Peptide, which provides the information about the atoms, bonds, connectivity and coordinates of CS1 Peptide. The CS1 Peptide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of CS1 Peptide

  The molecular formula of CS1 Peptide is available in chemical formula page of CS1 Peptide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of CS1 Peptide

  The molecular weight of CS1 Peptide is available in molecular weight page of CS1 Peptide, 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 CS1 Peptide

  The CS1 Peptide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of CS1 Peptide including the various registry numbers, if available:

  • L-Threonine, L-alpha-aspartyl-L-alpha-glutamyl-L-leucyl-L-prolyl-L-glutaminyl-L-leucyl-L-valyl-L-threonyl-L-leucyl-L-prolyl-L-histidyl-L-prolyl-L-asparaginyl-L-leucyl-L-histidylglycyl-L-prolyl-L-alpha-glutamyl-L-isoleucyl-L-leucyl-L-alpha-aspartyl-L-valyl-L-prolyl-L-seryl-
  • Fibronectin connecting segment 1
  • CS1 Peptide

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CS1 Peptide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of CS1 Peptide?
C123H195N31O39
How many atoms and what are the elements included the CS1 Peptide molecule?
388 atom(s) - 195 Hydrogen atom(s), 123 Carbon atom(s), 31 Nitrogen atom(s), and 39 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the CS1 Peptide structure?
394 bond(s) - 199 non-H bond(s), 41 multiple bond(s), 80 rotatable bond(s), 31 double bond(s), 10 aromatic bond(s), 7 five-membered ring(s), 5 carboxylic acid(s) (aliphatic), 2 primary amide(s) (aliphatic), 19 secondary amide(s) (aliphatic), 5 tertiary amide(s) (aliphatic), 1 primary amine(s) (aliphatic), 8 hydroxyl group(s), 1 primary alcohol(s), 2 secondary alcohol(s), 5 Pyrrolidine(s), and 2 Imidazole(s)
What’s the CS1 Peptide’s molecular weight?
2732.0487 g/mol
What’s the SMILES code of CS1 Peptide?
What’s the InChI string of CS1 Peptide?
InChI=1S/C123H195N31O39/c1-19-64(16)97(117(186)140-74(42-58(4)5)106(175)138-78(50-94(167)168)109(178)146-96(63(14)15)122(191)154-40-24-29-87(154)115(184)144-82(54-155)110(179)149-99(66(18)157)123(192)193)147-104(173)72(32-35-92(163)164)134-111(180)83-25-20-36-150(83)90(160)53-129-101(170)76(46-67-51-127-55-130-67)137-105(174)73(41-57(2)3)136-107(176)77(49-89(126)159)139-113(182)85-27-22-39-153(85)121(190)81(47-68-52-128-56-131-68)142-114(183)86-28-23-38-152(86)120(189)80(45-61(10)11)143-118(187)98(65(17)156)148-116(185)95(62(12)13)145-108(177)75(43-59(6)7)135-102(171)70(30-33-88(125)158)133-112(181)84-26-21-37-151(84)119(188)79(44-60(8)9)141-103(172)71(31-34-91(161)162)132-100(169)69(124)48-93(165)166/h51-52,55-66,69-87,95-99,155-157H,19-50,53-54,124H2,1-18H3,(H2,125,158)(H2,126,159)(H,127,130)(H,128,131)(H,129,170)(H,132,169)(H,133,181)(H,134,180)(H,135,171)(H,136,176)(H,137,174)(H,138,175)(H,139,182)(H,140,186)(H,141,172)(H,142,183)(H,143,187)(H,144,184)(H,145,177)(H,146,178)(H,147,173)(H,148,185)(H,149,179)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,192,193)/t64-,65+,66+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
What’s the InChIKey code of CS1 Peptide?
NXAKDBCNODQXBZ-YSZCVPRFSA-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).