Chemical Compound

3-((3S,6R,9S,12R,18R,21R,26AS)-1,4,7,16,19-pentahydroxy-18-((1R)-1-hydroxyethyl)-6-((4-hydroxyphenyl)methyl)-21-methyl-12-(non-3-en-1-yl)-10,22-dioxo-9-(propan-2-yl)-3H,6H,9H,10H,12H,13H,14H,15H,18H,21H,22H,24H,25H,26H,26ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl)propanimidate

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3-((3S,6R,9S,12R,18R,21R,26AS)-1,4,7,16,19-pentahydroxy-18-((1R)-1-hydroxyethyl)-6-((4-hydroxyphenyl)methyl)-21-methyl-12-(non-3-en-1-yl)-10,22-dioxo-9-(propan-2-yl)-3H,6H,9H,10H,12H,13H,14H,15H,18H,21H,22H,24H,25H,26H,26ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl)propanimidate 结构式
Primary record

3-((3S,6R,9S,12R,18R,21R,26AS)-1,4,7,16,19-pentahydroxy-18-((1R)-1-hydroxyethyl)-6-((4-hydroxyphenyl)methyl)-21-methyl-12-(non-3-en-1-yl)-10,22-dioxo-9-(propan-2-yl)-3H,6H,9H,10H,12H,13H,14H,15H,18H,21H,22H,24H,25H,26H,26ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl)propanimidate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
139591009
SMILES
CCCCC/C=C/CC[C@H]1CCCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)C)[C@@H](C)O
Canonical SMILES
CCCCC/C=C/CC[C@H]1CCCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O1

名称与同义词

  • Sinulariapeptide A
  • RefChem:183185
  • CHEBI:215989
  • 3-[(3R,6R,12R,15S,18R,21S,24S)-6-[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-3-methyl-12-[(E)-non-3-enyl]-2,5,8,14,17,20,23-heptaoxo-15-propan-2-yl-13-oxa-1,4,7,16,19,22-hexazabicyclo[22.3.0]heptacosan-21-yl]propanamide
  • 3-((3R,6R,12R,15S,18R,21S,24S)-6-((1R)-1-hydroxyethyl)-18-((4-hydroxyphenyl)methyl)-3-methyl-12-((E)-non-3-enyl)-2,5,8,14,17,20,23-heptaoxo-15-propan-2-yl-13-oxa-1,4,7,16,19,22-hexazabicyclo(22.3.0)heptacosan-21-yl)propanamide
  • 3-((3S,6R,9S,12R,18R,21R,26AS)-1,4,7,16,19-pentahydroxy-18-((1R)-1-hydroxyethyl)-6-((4-hydroxyphenyl)methyl)-21-methyl-12-(non-3-en-1-yl)-10,22-dioxo-9-(propan-2-yl)-3H,6H,9H,10H,12H,13H,14H,15H,18H,21H,22H,24H,25H,26H,26ah-pyrrolo(2,1-L)1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl)propanimidate
  • 3-((3S,6S,12R,15S,18R,21S,24S)-6-((1S)-1-hydroxyethyl)-18-((4-hydroxyphenyl)methyl)-3-methyl-12-((E)-non-3-enyl)-2,5,8,14,17,20,23-heptaoxo-15-propan-2-yl-13-oxa-1,4,7,16,19,22-hexazabicyclo(22.3.0)heptacosan-21-yl)propanamide
  • 3-[(3S,6R,9S,12R,18R,21R,26AS)-1,4,7,16,19-pentahydroxy-18-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-21-methyl-12-(non-3-en-1-yl)-10,22-dioxo-9-(propan-2-yl)-3H,6H,9H,10H,12H,13H,14H,15H,18H,21H,22H,24H,25H,26H,26ah-pyrrolo[2,1-L]1-oxa-4,7,10,13,16,19-hexaazacyclotetracosan-3-yl]propanimidate
  • 3-[(3S,6S,12R,15S,18R,21S,24S)-6-[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-3-methyl-12-[(E)-non-3-enyl]-2,5,8,14,17,20,23-heptaoxo-15-propan-2-yl-13-oxa-1,4,7,16,19,22-hexazabicyclo[22.3.0]heptacosan-21-yl]propanamide