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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > cyanopeptolin 1020
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > cyanopeptolin 1020
organooxygen compound > ester > lactone > cyclodepsipeptide > cyanopeptolin 1020
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > cyanopeptolin 1020
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > cyanopeptolin 1020
... > 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 > cyanopeptolin 1020
... > 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 > cyanopeptolin 1020
... > 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 > cyanopeptolin 1020

Preferred term

cyanopeptolin 1020  

Type

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

Broader concept

charge

  • 0

formula

  • C50H72N10O13

inchi

  • InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1

inchikey

  • NYXUAFLMUQAJPS-AYGLBTBXSA-N

mass

  • 1021.183

monoisotopicmass

  • 1020.52803

smiles

  • O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCN=C(N)N)C

subset

  • 2_STAR

synonym EXACT

  • (4S)-5-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(hexanoylamino)-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206085

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