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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
organooxygen compound > ester > lactone > cyclodepsipeptide > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
... > 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 > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
... > 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 > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
... > 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 > n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide

Preferred term

n-[(2s,3r)-1-[[2-[[(2s)-1-[[(3s,6s,9s,12s)-3,6-bis(3-amino-3-oxopropyl)-9-(1h-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C41H67N11O12

inchi

  • InChI=1S/C41H67N11O12/c1-23(2)12-10-8-6-5-7-9-11-13-33(56)52-35(25(4)53)40(62)45-20-34(57)47-24(3)36(58)51-30-21-64-41(63)28(15-17-32(43)55)49-37(59)27(14-16-31(42)54)48-38(60)29(50-39(30)61)18-26-19-44-22-46-26/h19,22-25,27-30,35,53H,5-18,20-21H2,1-4H3,(H2,42,54)(H2,43,55)(H,44,46)(H,45,62)(H,47,57)(H,48,60)(H,49,59)(H,50,61)(H,51,58)(H,52,56)/t24-,25+,27-,28-,29-,30-,35-/m0/s1

inchikey

  • GIRIPBPYVQTCFF-MOIAAXNJSA-N

mass

  • 906.052

monoisotopicmass

  • 905.49707

smiles

  • O=C1OC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CCCCCCCCCC(C)C)[C@H](O)C)C)C(=O)N[C@@H](CC=2NC=NC2)C(N[C@H](C(N[C@H]1CCC(=O)N)=O)CCC(=O)N)=O

subset

  • 2_STAR

synonym EXACT

  • N-[(2S,3R)-1-[[2-[[(2S)-1-[[(3S,6S,9S,12S)-3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223292

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