Chemical Compound

(2R)-N-((2S,5S,8S,11S,12S,15S,18S,21R)-5-Benzyl-8-((2S)-butan-2-yl)-6,13,16,21-tetrahydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-4,11-dimethyl-3,9,22-trioxo-2-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosa-6,13,16-trien-12-yl)-2-((1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene)amino)pentanediimidate

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(2R)-N-((2S,5S,8S,11S,12S,15S,18S,21R)-5-Benzyl-8-((2S)-butan-2-yl)-6,13,16,21-tetrahydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-4,11-dimethyl-3,9,22-trioxo-2-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosa-6,13,16-trien-12-yl)-2-((1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene)amino)pentanediimidate 结构式
Primary record

(2R)-N-((2S,5S,8S,11S,12S,15S,18S,21R)-5-Benzyl-8-((2S)-butan-2-yl)-6,13,16,21-tetrahydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-4,11-dimethyl-3,9,22-trioxo-2-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosa-6,13,16-trien-12-yl)-2-((1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene)amino)pentanediimidate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
146683760
SMILES
CC[C@H](C)[C@H]1C(=O)O[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)C(C)C)O)CC4CCC(C=C4)O)NC(=O)[C@@H](CCC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)O)C
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC2C=CC(O)CC2)NC(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)[C@H](C)OC1=O

名称与同义词

  • Micropeptin KB1046
  • RefChem:158724
  • CHEBI:213606
  • DTXSID401046794
  • (2R)-N-[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxycyclohex-2-en-1-yl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
  • (2R)-N-((2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((2S)-butan-2-yl)-21-hydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo(16.3.1)docosan-12-yl)-2-((2-hydroxy-3-(4-hydroxyphenyl)propanoyl)amino)pentanediamide
  • (2R)-N-((2S,5S,8S,11S,12S,15S,18S,21R)-5-Benzyl-8-((2S)-butan-2-yl)-6,13,16,21-tetrahydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-4,11-dimethyl-3,9,22-trioxo-2-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosa-6,13,16-trien-12-yl)-2-((1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene)amino)pentanediimidate
  • (2R)-N-[(2S,5S,8S,11S,12S,15S,18S,21R)-5-Benzyl-8-[(2S)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[(4-hydroxycyclohex-2-en-1-yl)methyl]-4,11-dimethyl-3,9,22-trioxo-2-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}pentanediimidate
  • (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((S)-sec-butyl)-21-hydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-2-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-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamide
  • (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((S)-sec-butyl)-21-hydroxy-15-((4-hydroxycyclohex-2-en-1-yl)methyl)-2-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-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamide