skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

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

Preferred term

aspereline g  

Type

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

Broader concept

charge

  • 0

formula

  • C47H82N10O13

inchi

  • InChI=1S/C47H82N10O13/c1-19-26(4)32(50-37(65)42(7,8)53-34(62)31(25(2)3)49-38(66)44(11,12)55-39(67)45(13,14)51-27(5)59)35(63)54-46(15,16)40(68)56-43(9,10)36(64)48-30(23-58)33(61)52-47(17,18)41(69)57-22-20-21-29(57)24-70-28(6)60/h25-26,29-32,58H,19-24H2,1-18H3,(H,48,64)(H,49,66)(H,50,65)(H,51,59)(H,52,61)(H,53,62)(H,54,63)(H,55,67)(H,56,68)/t26?,29-,30-,31-,32-/m0/s1

inchikey

  • JXSPVYCGDZZXPS-NEEIGIFCSA-N

mass

  • 995.230

monoisotopicmass

  • 994.60628

smiles

  • O=C(N1[C@@H](CCC1)COC(=O)C)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C)(C)C)(C)C)C(C)C)(C)C)C(CC)C)(C)C)(C)C)CO)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-acetamido-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-2-methylpropanoyl]pyrrolidin-2-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198732

Download this concept:

RDF/XML TURTLE JSON-LD