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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 > myropeptin a1
organooxygen compound > carboxamide > peptide > myropeptin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > myropeptin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > myropeptin a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > myropeptin a1

Preferred term

myropeptin a1  

Type

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

Broader concept

charge

  • 0

formula

  • C89H152N20O22

inchi

  • InChI=1S/C89H152N20O22/c1-27-28-29-30-31-32-33-34-35-42-59(111)97-87(21,22)76(129)108-50-37-40-56(108)66(119)100-85(17,18)74(127)106-89(25,26)78(131)109-51-38-41-57(109)67(120)101-84(15,16)73(126)105-88(23,24)77(130)107-49-36-39-55(107)65(118)94-54(4)64(117)98-79(5,6)68(121)91-46-43-58(110)93-53(3)63(116)99-83(13,14)72(125)102-80(7,8)69(122)92-47-44-60(112)96-82(11,12)71(124)104-86(19,20)75(128)103-81(9,10)70(123)95-52(2)62(115)90-48-45-61(113)114/h52-57H,27-51H2,1-26H3,(H,90,115)(H,91,121)(H,92,122)(H,93,110)(H,94,118)(H,95,123)(H,96,112)(H,97,111)(H,98,117)(H,99,116)(H,100,119)(H,101,120)(H,102,125)(H,103,128)(H,104,124)(H,105,126)(H,106,127)(H,113,114)/t52-,53-,54-,55-,56-,57-/m0/s1

inchikey

  • DSMUZDXHOOUKSH-VICXIOLRSA-N

mass

  • 1854.313

monoisotopicmass

  • 1853.13901

smiles

  • O=C(N1[C@H](C(=O)NC(C(=O)NC(C(=O)N2[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NCCC(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NCCC(=O)O)C)(C)C)(C)C)(C)C)(C)C)(C)C)C)(C)C)C)CCC2)(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)[C@H]3N(C(=O)C(NC(=O)CCCCCCCCCCC)(C)C)CCC3)(C)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • 3-[[(2S)-2-[[2-[[2-[[2-[3-[[2-[[2-[[(2S)-2-[3-[[2-[[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-[[2-[[(2S)-1-[2-(dodecanoylamino)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210022

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