Mycobacillin

cas: 18524-67-9 — see every product listed under this CAS number, including other names

Mycobacillin (CAS 18524-67-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas18524-67-9
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Structural formula: {0} (CAS {1})

(3R,6S,9R,14R,17S,20R,23S,26S,29S,32S,37R,40R,43S)-3,9,20,29,40-pentakis(carboxymethyl)-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2,5,8,11,16,19,22,25,28,31,34,39,42-tridecaoxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetracontane-14,37-dicarboxylic acid (CAS 18524-67-9) is a chemical compound with the molecular formula C65H85N13O30 and a molecular weight of 1528.4 g/mol. IUPAC name: (3R,6S,9R,14R,17S,20R,23S,26S,29S,32S,37R,40R,43S)-3,9,20,29,40-pentakis(carboxymethyl)-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2,5,8,11,16,19,22,25,28,31,34,39,42-tridecaoxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetracontane-14,37-dicarboxylic acid. InChIKey: MGMBOQJARKXIAL-LCLLRQAKSA-N.

Identity
Molecular formulaC65H85N13O30
Molecular weight1528.4 g/mol
IUPAC name(3R,6S,9R,14R,17S,20R,23S,26S,29S,32S,37R,40R,43S)-3,9,20,29,40-pentakis(carboxymethyl)-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2,5,8,11,16,19,22,25,28,31,34,39,42-tridecaoxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetracontane-14,37-dicarboxylic acid
InChIKeyMGMBOQJARKXIAL-LCLLRQAKSA-N
SMILESC[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](C(=O)N1)CC(=O)O)C(=O)O)CC(C)C)CC(=O)O)CO)CC3=CC=C(C=C3)O)CC(=O)O)CC4=CC=C(C=C4)O)C(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)

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