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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > xentrivalpeptide o
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > xentrivalpeptide o
organooxygen compound > ester > lactone > cyclodepsipeptide > xentrivalpeptide o
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > xentrivalpeptide o
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > xentrivalpeptide o
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > xentrivalpeptide o
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > xentrivalpeptide o
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > xentrivalpeptide o

Preferred term

xentrivalpeptide o  

Type

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

Broader concept

charge

  • 0

formula

  • C45H63N7O9

inchi

  • InChI=1S/C45H63N7O9/c1-9-31-39(54)50-37(27(6)7)45(60)61-28(8)38(51-42(57)35(25(2)3)48-34(53)24-30-19-14-11-15-20-30)43(58)47-32(23-29-17-12-10-13-18-29)44(59)52-22-16-21-33(52)40(55)49-36(26(4)5)41(56)46-31/h10-15,17-20,25-28,31-33,35-38H,9,16,21-24H2,1-8H3,(H,46,56)(H,47,58)(H,48,53)(H,49,55)(H,50,54)(H,51,57)/t28-,31+,32-,33+,35+,36+,37+,38+/m1/s1

inchikey

  • YFSBYLFQCDVKEG-JKZXPFHFSA-N

mass

  • 846.039

monoisotopicmass

  • 845.46873

smiles

  • O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CC2=CC=CC=C2)C(C)C)C(=O)N[C@@H](C(=O)N3[C@@H](CCC3)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC)=O)C(C)C)=O)CC4=CC=CC=C4)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-N-[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-13-ethyl-7-methyl-2,5,9,12,15,18-hexaoxo-10,16-di(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198045

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