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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 > oligopeptide > k-582-b
organooxygen compound > carboxamide > peptide > oligopeptide > k-582-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > k-582-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > k-582-b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > oligopeptide > k-582-b

Preferred term

k-582-b  

Type

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

Broader concept

charge

  • 0

formula

  • C44H80N18O12

inchi

  • InChI=1S/C44H80N18O12/c1-23(63)34(62-37(69)30(8-5-16-46)57-38(70)31(21-26(65)13-18-55-43(50)51)59-35(67)28(47)6-2-3-17-54-42(48)49)40(72)58-29(7-4-15-45)36(68)60-32(22-27(66)14-19-56-44(52)53)39(71)61-33(41(73)74)20-24-9-11-25(64)12-10-24/h9-12,23,26-34,63-66H,2-8,13-22,45-47H2,1H3,(H,57,70)(H,58,72)(H,59,67)(H,60,68)(H,61,71)(H,62,69)(H,73,74)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)

inchikey

  • AYWBYBFSAYZHAE-UHFFFAOYSA-N

mass

  • 1053.238

monoisotopicmass

  • 1052.62031

smiles

  • O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN=C(N)N)CC(O)CCN=C(N)N)CCCN)C(O)C)CCCN)CC(O)CCN=C(N)N)CC1=CC=C(O)C=C1

subset

  • 2_STAR

synonym EXACT

  • 2-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-[[2-amino-6-(diaminomethylideneamino)hexanoyl]amino]-6-(diaminomethylideneamino)-4-hydroxyhexanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-6-(diaminomethylideneamino)-4-hydroxyhexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205139

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