SDF/Mol File of BOC-ARG(PMC)-OH (C25H40N4O7S)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying BOC-ARG(PMC)-OH Molecule

• Chemical structure of BOC-ARG(PMC)-OH

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of BOC-ARG(PMC)-OH is available in chemical structure page of BOC-ARG(PMC)-OH, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of BOC-ARG(PMC)-OH

  The molecular weight of BOC-ARG(PMC)-OH is available in molecular weight page of BOC-ARG(PMC)-OH, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of BOC-ARG(PMC)-OH

  The chemical formula of BOC-ARG(PMC)-OH is given in chemical formula page of BOC-ARG(PMC)-OH, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of BOC-ARG(PMC)-OH

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of BOC-ARG(PMC)-OH is:

  InChI=1S/C25H40N4O7S/c1-14-15(2)20(16(3)17-11-12-25(7,8)35-19(14)17)37(33,34)29-22(26)27-13-9-10-18(21(30)31)28-23(32)36-24(4,5)6/h18H,9-13H2,1-8H3,(H,28,32)(H,30,31)(H3,26,27,29)/t18-/m0/s1

  It can provide a standard way to encode the molecular information of BOC-ARG(PMC)-OH to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of BOC-ARG(PMC)-OH is:

  InChIKey=WVNWVMLZWUTJPA-SFHVURJKSA-N

  The InChIKey may allow easier web searches for BOC-ARG(PMC)-OH, but it needs to be linked to the full InChI to get back to the original structure of the BOC-ARG(PMC)-OH since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of BOC-ARG(PMC)-OH

  The BOC-ARG(PMC)-OH compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of BOC-ARG(PMC)-OH including the registry numbers are listed below, if available:

  • (E)-N~5~-{Amino[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl)amino]methylidene}-N~2~-(tert-butoxycarbonyl)-L-ornithine
  • K-5845
  • MFCD00236823
  • 6272AH
  • C25H40N4O7S
  • Nalpha-Boc-Nomega-(2,2,4,6,7-pentamethylchroman-6-sufonyl)-L-arginine
  • 200125-12-8
  • BOC-ARG(PMC)-OH

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BOC-ARG(PMC)-OH Identification Summary Frequently Asked Questions (FAQs)

What’s the BOC-ARG(PMC)-OH formula?
C25H40N4O7S
How many atoms and what elements are included in the BOC-ARG(PMC)-OH molecule?
77 atom(s) - 40 Hydrogen atom(s), 25 Carbon atom(s), 4 Nitrogen atom(s), 7 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are in the BOC-ARG(PMC)-OH structure?
78 bond(s) - 38 non-H bond(s), 11 multiple bond(s), 11 rotatable bond(s), 5 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), 1 guanidine derivative(s), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s), 1 ether(s) (aromatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the BOC-ARG(PMC)-OH’s molar mass?
540.6727 g/mol
What’s the SMILES structure of BOC-ARG(PMC)-OH?
Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(N)=NCCCC(NC(=O)OC(C)(C)C)C(O)=O
What’s the InChI code of BOC-ARG(PMC)-OH?
InChI=1S/C25H40N4O7S/c1-14-15(2)20(16(3)17-11-12-25(7,8)35-19(14)17)37(33,34)29-22(26)27-13-9-10-18(21(30)31)28-23(32)36-24(4,5)6/h18H,9-13H2,1-8H3,(H,28,32)(H,30,31)(H3,26,27,29)/t18-/m0/s1
What’s the InChIKey format of BOC-ARG(PMC)-OH?
WVNWVMLZWUTJPA-SFHVURJKSA-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).