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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > cyanopeptolin cp1048
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > cyanopeptolin cp1048
organooxygen compound > ester > lactone > cyclodepsipeptide > cyanopeptolin cp1048
... > 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 cp1048
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > cyanopeptolin cp1048
... > 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 cp1048
... > 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 cp1048
... > 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 cp1048

Preferred term

cyanopeptolin cp1048  

Type

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

Broader concept

charge

  • 0

formula

  • C52H76N10O13

inchi

  • InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)

inchikey

  • VYXPXPDSGOMRCH-UHFFFAOYSA-N

mass

  • 1049.237

monoisotopicmass

  • 1048.55933

smiles

  • O=C1OC(C(NC(=O)C(NC(=O)CCCCCCC)CC(=O)O)C(=O)NC(C(=O)NC2CCC(N(C(C(N(C(C(NC1C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCN=C(N)N)C

subset

  • 2_STAR

synonym EXACT

  • 4-[[2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-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]-3-(octanoylamino)-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221603

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