skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > cyanopeptolin 972
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > cyanopeptolin 972
organooxygen compound > ester > lactone > cyclodepsipeptide > cyanopeptolin 972
... > 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 972
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > cyanopeptolin 972
... > 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 972
... > 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 972
... > 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 972

Preferred term

cyanopeptolin 972  

Type

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

Broader concept

charge

  • 0

formula

  • C46H72N10O13

inchi

  • InChI=1S/C46H72N10O13/c1-8-9-10-13-34(58)50-31(23-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(22-27-14-16-28(57)17-15-27)55(7)44(67)33(21-24(2)3)56-35(59)19-18-30(43(56)66)52-39(62)29(51-42(38)65)12-11-20-49-46(47)48/h14-17,24-26,29-33,35,37-38,57,59H,8-13,18-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)/t26-,29+,30+,31+,32+,33+,35-,37+,38+/m1/s1

inchikey

  • NKYQWHNOQNOLGP-ONNRHKKVSA-N

mass

  • 973.139

monoisotopicmass

  • 972.52803

smiles

  • O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CC(=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)CC(C)C)C2=O)O)CCCN=C(N)N)C

subset

  • 2_STAR

synonym EXACT

  • (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-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]-3-(hexanoylamino)-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227086

Download this concept:

RDF/XML TURTLE JSON-LD