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Chemistry, part 1

Content language

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

Preferred term

mc-ee  

Type

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

Broader concept

charge

  • 0

formula

  • C47H65N7O16

inchi

  • InChI=1S/C47H65N7O16/c1-24(22-25(2)35(70-8)23-30-12-10-9-11-13-30)14-15-31-26(3)40(60)52-34(46(66)67)16-19-36(55)54(7)29(6)43(63)48-28(5)42(62)51-33(18-21-38(58)59)45(65)53-39(47(68)69)27(4)41(61)50-32(44(64)49-31)17-20-37(56)57/h9-15,22,25-28,31-35,39H,6,16-21,23H2,1-5,7-8H3,(H,48,63)(H,49,64)(H,50,61)(H,51,62)(H,52,60)(H,53,65)(H,56,57)(H,58,59)(H,66,67)(H,68,69)/b15-14+,24-22+/t25-,26-,27-,28+,31-,32-,33-,34+,35-,39+/m0/s1

inchikey

  • DRSTXSHKTFWNFL-CUTXYPRISA-N

mass

  • 984.070

monoisotopicmass

  • 983.44878

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCC(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis(2-carboxyethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222407

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