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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 > [dha7]mc-htyr
organooxygen compound > carboxamide > peptide > [dha7]mc-htyr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [dha7]mc-htyr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [dha7]mc-htyr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > [dha7]mc-htyr

Preferred term

[dha7]mc-htyr  

Type

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

Broader concept

charge

  • 0

formula

  • C52H72N10O13

inchi

  • InChI=1S/C52H72N10O13/c1-28(26-29(2)41(75-7)27-35-12-9-8-10-13-35)15-21-37-30(3)44(65)61-40(50(71)72)23-24-42(64)56-32(5)46(67)57-33(6)47(68)60-39(22-18-34-16-19-36(63)20-17-34)49(70)62-43(51(73)74)31(4)45(66)59-38(48(69)58-37)14-11-25-55-52(53)54/h8-10,12-13,15-17,19-21,26,29-31,33,37-41,43,63H,5,11,14,18,22-25,27H2,1-4,6-7H3,(H,56,64)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,65)(H,62,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-15+,28-26+/t29-,30-,31-,33+,37-,38-,39-,40+,41-,43+/m0/s1

inchikey

  • KGAVCHMHGJSYBJ-ZNUBTALFSA-N

mass

  • 1045.205

monoisotopicmass

  • 1044.52803

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](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)=O)C)CCC3=CC=C(O)C=C3)C

subset

  • 2_STAR

synonym EXACT

  • (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-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:214225

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