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CAS 58798-97-3

:

(17Z)-N-{1-[(1-carbamoylethenyl)carbamoyl]ethenyl}-17-ethylidene-14-(1-hydroxyethyl)-27-(1-hydroxy-1-methylethyl)-20,33-dimethyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaaza

Description:
The chemical substance with the name "(17Z)-N-{1-[(1-carbamoylethenyl)carbamoyl]ethenyl}-17-ethylidene-14-(1-hydroxyethyl)-27-(1-hydroxy-1-methylethyl)-20,33-dimethyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaaza" and CAS number "58798-97-3" is a complex organic compound characterized by a multi-functional structure that includes multiple carbonyl (oxo) groups, hydroxy groups, and nitrogen-containing moieties. This compound features a significant degree of stereochemistry, indicated by the "Z" configuration, which suggests specific spatial arrangements of its substituents. The presence of multiple functional groups, including carbamoyl and hydroxyethyl, indicates potential reactivity and biological activity, making it of interest in medicinal chemistry and related fields. Its intricate structure, which includes a dodecaaza framework, suggests potential applications in pharmaceuticals or as a synthetic intermediate. The compound's solubility, stability, and reactivity would depend on its specific functional groups and overall molecular geometry, which would need to be evaluated through experimental studies for practical applications.
Formula:C51H51N15O15S
InChI:InChI=1/C51H51N15O15S/c1-13-28-49-65-34(26(10)81-49)45(76)56-21(5)40(71)66-36(51(11,12)78)46(77)58-23(7)48-64-33(25(9)80-48)44(75)55-20(4)39(70)57-22(6)47-61-30(16-79-47)35-27(50-62-31(17-82-50)42(73)63-32(24(8)67)43(74)60-28)14-15-29(59-35)41(72)54-19(3)38(69)53-18(2)37(52)68/h13-17,24,32,36,67,78H,2-7H2,1,8-12H3,(H2,52,68)(H,53,69)(H,54,72)(H,55,75)(H,56,76)(H,57,70)(H,58,77)(H,60,74)(H,63,73)(H,66,71)/b28-13-
SMILES:C/C=C\1/c2nc(c(C)o2)C(=NC(=C)C(=NC(C(=NC(=C)c2nc(c(C)o2)C(=NC(=C)C(=NC(=C)c2nc(co2)c2c(ccc(C(=O)NC(=C)C(=NC(=C)C(=N)O)O)n2)c2nc(cs2)C(=NC(C(C)O)C(=N1)O)O)O)O)O)C(C)(C)O)O)O
Synonyms:
  • (17Z)-N-{3-[(3-Amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl}-17-ethylidene-14-(1-hydroxyethyl)-27-(2-hydroxypropan-2-yl)-20,33-dimethyl-24,30,37,40-tetrakis(methylene)-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.18,11
  • (17Z)-N-{3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl}-17-ethylidene-14-(1-hydroxyethyl)-27-(2-hydroxypropan-2-yl)-20,33-dimethyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.18,11
  • 58798-97-3
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