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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > [(1r,2s,3s,4r,5s,6r,7r,8r,11r,13r,14s,17s,20s,21r)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2s)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
organooxygen compound > carboxamide > peptide > [(1r,2s,3s,4r,5s,6r,7r,8r,11r,13r,14s,17s,20s,21r)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2s)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [(1r,2s,3s,4r,5s,6r,7r,8r,11r,13r,14s,17s,20s,21r)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2s)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [(1r,2s,3s,4r,5s,6r,7r,8r,11r,13r,14s,17s,20s,21r)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2s)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > [(1r,2s,3s,4r,5s,6r,7r,8r,11r,13r,14s,17s,20s,21r)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2s)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate

Preferred term

[(1r,2s,3s,4r,5s,6r,7r,8r,11r,13r,14s,17s,20s,21r)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2s)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H52N4O9

inchi

  • InChI=1S/C36H52N4O9/c1-16-11-22-28(32(44)18(3)31(22)43)27-21(16)13-23-29(27)30-33(17(2)25(48-35(30)46)7-9-36(23,5)47)49-34(45)24(12-20-14-37-15-40(20)6)39-26(42)8-10-38-19(4)41/h11,14-15,17-18,21-25,27-33,43-44,47H,7-10,12-13H2,1-6H3,(H,38,41)(H,39,42)/t17-,18+,21+,22-,23-,24+,25+,27+,28+,29-,30-,31+,32-,33+,36+/m1/s1

inchikey

  • SUFFAWZCSVRZFY-YBJKMHAKSA-N

mass

  • 684.831

monoisotopicmass

  • 684.37343

smiles

  • O=C1O[C@@H]2[C@@H](C)[C@@H]([C@H]1[C@H]3[C@@H]4[C@H]5[C@H](O)[C@@H](C)[C@@H]([C@@H]5C=C([C@@H]4C[C@H]3[C@](O)(C)CC2)C)O)OC(=O)[C@@H](NC(=O)CCNC(=O)C)CC=6N(C=NC6)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2S,3S,4R,5S,6R,7R,8R,11R,13R,14S,17S,20S,21R)-5,7,14-trihydroxy-6,10,14,21-tetramethyl-19-oxo-18-oxapentacyclo[15.2.2.02,13.03,11.04,8]henicos-9-en-20-yl] (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208632

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