Molecular Weight of Ecumicin (C83H134N14O17)
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Chemical Formula | C83H134N14O17 |
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Molecular Weight | 1600.03566 g/mol |
IUPAC Name | (2S,3R)-2-[(2S)-2-[(2S)-2-(dimethylamino)-3-methylbutanamido]-N,3-dimethylbutanamido]-N-[(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,31R)-6-[(R)-hydroxy(phenyl)methyl]-27-[(1R)-1-hydroxyethyl]-12-[(4-methoxy-1H-indol-3-yl)methyl]-13,16,22,28,31-pentamethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,15,18,24-pentakis(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-3-methylpentanamide |
SMILES String | CCC(C)C(N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)C(=O)NC3C(C)OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2cccc(OC)c12)N(C)C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(C(C)O)N(C)C3=O)C(C)C)C(C)C)C(C)C)C(O)c4ccccc4)C(C)C |
InChI | InChI=1S/C83H134N14O17/c1-29-49(18)68(96(26)80(109)62(45(10)11)87-75(104)66(47(14)15)92(21)22)76(105)90-64-51(20)114-83(112)63(46(12)13)89-74(103)65(70(99)52-34-31-30-32-35-52)91-73(102)59(42(4)5)85-72(101)56(39-53-40-84-54-36-33-37-57(113-28)58(53)54)94(24)82(111)67(48(16)17)95(25)79(108)61(44(8)9)86-71(100)55(38-41(2)3)93(23)78(107)60(43(6)7)88-77(106)69(50(19)98)97(27)81(64)110/h30-37,40-51,55-56,59-70,84,98-99H,29,38-39H2,1-28H3,(H,85,101)(H,86,100)(H,87,104)(H,88,106)(H,89,103)(H,90,105)(H,91,102)/t49-,50-,51-,55+,56+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-/m1/s1 |
InChIKey | NFPKVSAWAVSWGF-SVJFMMICSA-N |
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Molecular Weight Description
The Ecumicin molecule consists of 134 Hydrogen atom(s), 83 Carbon atom(s), 14 Nitrogen atom(s), and 17 Oxygen atom(s) - a total of 248 atom(s). The molecular weight of Ecumicin is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
1600.03566·gmol
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Ecumicin Molecule
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Structure Data File (SDF/MOL File) of Ecumicin
The structure data file (SDF/MOL File) of Ecumicin is available for download in the SDF page of Ecumicin, which provides the information on atoms, bonds, connectivity and coordinates of Ecumicin. The Ecumicin structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Ecumicin
The molecular structure image of Ecumicin is available in chemical structure page of Ecumicin, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Ecumicin and the chemical bonds that hold the atoms together.
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Chemical formula of Ecumicin
The molecular formula of Ecumicin is given in chemical formula page of Ecumicin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Ecumicin
In addition to the molecular weight information, the structural information of Ecumicin in a textual expression is available via InChi. The full standard InChI of Ecumicin is given below:
InChI=1S/C83H134N14O17/c1-29-49(18)68(96(26)80(109)62(45(10)11)87-75(104)66(47(14)15)92(21)22)76(105)90-64-51(20)114-83(112)63(46(12)13)89-74(103)65(70(99)52-34-31-30-32-35-52)91-73(102)59(42(4)5)85-72(101)56(39-53-40-84-54-36-33-37-57(113-28)58(53)54)94(24)82(111)67(48(16)17)95(25)79(108)61(44(8)9)86-71(100)55(38-41(2)3)93(23)78(107)60(43(6)7)88-77(106)69(50(19)98)97(27)81(64)110/h30-37,40-51,55-56,59-70,84,98-99H,29,38-39H2,1-28H3,(H,85,101)(H,86,100)(H,87,104)(H,88,106)(H,89,103)(H,90,105)(H,91,102)/t49-,50-,51-,55+,56+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-/m1/s1
It can provide a way to encode the molecular information of Ecumicin 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 Ecumicin is:
InChIKey=NFPKVSAWAVSWGF-SVJFMMICSA-N
It may allow easier web searches for Ecumicin. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Ecumicin as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ecumicin
There may be different names of the Ecumicin compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Ecumicin
Ecumicin Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Ecumicin? |
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C83H134N14O17 |
How many atoms and what are the elements in the Ecumicin molecule? |
248 atom(s) - 134 Hydrogen atom(s), 83 Carbon atom(s), 14 Nitrogen atom(s), and 17 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Ecumicin structure? |
251 bond(s) - 117 non-H bond(s), 29 multiple bond(s), 24 rotatable bond(s), 13 double bond(s), 16 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 7 secondary amide(s) (aliphatic), 5 tertiary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 2 hydroxyl group(s), 2 secondary alcohol(s), 1 ether(s) (aromatic), and 1 Pyrrole(s) |
What’s the molar mass of Ecumicin? |
1600.03566 g/mol |
What’s the SMILES format of Ecumicin? |
CCC(C)C(N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)C(=O)NC3C(C)OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2cccc(OC)c12)N(C)C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(C(C)O)N(C)C3=O)C(C)C)C(C)C)C(C)C)C(O)c4ccccc4)C(C)C |
What’s the InChI format of Ecumicin? |
InChI=1S/C83H134N14O17/c1-29-49(18)68(96(26)80(109)62(45(10)11)87-75(104)66(47(14)15)92(21)22)76(105)90-64-51(20)114-83(112)63(46(12)13)89-74(103)65(70(99)52-34-31-30-32-35-52)91-73(102)59(42(4)5)85-72(101)56(39-53-40-84-54-36-33-37-57(113-28)58(53)54)94(24)82(111)67(48(16)17)95(25)79(108)61(44(8)9)86-71(100)55(38-41(2)3)93(23)78(107)60(43(6)7)88-77(106)69(50(19)98)97(27)81(64)110/h30-37,40-51,55-56,59-70,84,98-99H,29,38-39H2,1-28H3,(H,85,101)(H,86,100)(H,87,104)(H,88,106)(H,89,103)(H,90,105)(H,91,102)/t49-,50-,51-,55+,56+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-/m1/s1 |
What’s the InChIKey string of Ecumicin? |
NFPKVSAWAVSWGF-SVJFMMICSA-N |