Chemical Compound

Micropeptin KT1042

CAS Registry Number 1357381-98-6
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Micropeptin KT1042 chemical structure
Primary Record

Micropeptin KT1042

In stock
4,359 g
Purity
99.2 %
CAS
1357381-98-6

Compound Identifiers & Properties

CAS
1357381-98-6
PubChem CID
70691538
SMILES
CC[C@@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N1C2=O)O)CC3=CC=C(C=C3)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=CC=C(C=C4)O)O)C)C(C)C)CC5=CC=CC=C5)C
Canonical SMILES
CC[C@@H](C)[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N1C2=O

Names & Synonyms

  • Micropeptin KT1042
  • RefChem:158736
  • CHEMBL2011684
  • CHEBI:204555
  • DTXSID601335474
  • (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2-[(2R)-butan-2-yl]-21-hydroxy-15-[(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]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
  • (2S)-N-((2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2-((2R)-butan-2-yl)-21-hydroxy-15-((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)-2-(((2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl)amino)pentanediamide
  • (2S)-N-((2S,5S,8S,11R,12S,15S,18S,21R)-5-Benzyl-2-((2R)-butan-2-yl)-6,13,16,21-tetrahydroxy-15-((4-hydroxyphenyl)methyl)-4,11-dimethyl-3,9,22-trioxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosa-6,13,16-trien-12-yl)-2-(((2R)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene)amino)pentanediimidate
  • (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-Benzyl-2-[(2R)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,9,22-trioxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[(2R)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}pentanediimidate
  • (R)-N1-((1R,2R,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((R)-sec-butyl)-21-hydroxy-15-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosan-12-yl)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamide
  • (R)-N1-((1R,2R,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((R)-sec-butyl)-21-hydroxy-15-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamide
  • 1357381-98-6
  • N~1~-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-Benzyl-2-[(2R)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-L-glutamamide