Chemical Compound

(10R,12S)-N-((3S,6S,9S,11R,15S,18R,24S,25S,26S)-5,8,11,17,23,25-Hexahydroxy-3-((1R)-1-hydroxy-2-(C-hydroxycarbonimidoyl)ethyl)-15-((1R)-1-hydroxyethyl)-6-(2-(4-hydroxyphenyl)ethyl)-26-methyl-2,14-dioxo-1,4,7,13,16,22-hexaazatricyclo(22.3.0.0,)heptacosa-4,7,16,22-tetraen-18-yl)-10,12-dimethyltetradecanimidate

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(10R,12S)-N-((3S,6S,9S,11R,15S,18R,24S,25S,26S)-5,8,11,17,23,25-Hexahydroxy-3-((1R)-1-hydroxy-2-(C-hydroxycarbonimidoyl)ethyl)-15-((1R)-1-hydroxyethyl)-6-(2-(4-hydroxyphenyl)ethyl)-26-methyl-2,14-dioxo-1,4,7,13,16,22-hexaazatricyclo(22.3.0.0,)heptacosa-4,7,16,22-tetraen-18-yl)-10,12-dimethyltetradecanimidate 结构式
Primary record

(10R,12S)-N-((3S,6S,9S,11R,15S,18R,24S,25S,26S)-5,8,11,17,23,25-Hexahydroxy-3-((1R)-1-hydroxy-2-(C-hydroxycarbonimidoyl)ethyl)-15-((1R)-1-hydroxyethyl)-6-(2-(4-hydroxyphenyl)ethyl)-26-methyl-2,14-dioxo-1,4,7,13,16,22-hexaazatricyclo(22.3.0.0,)heptacosa-4,7,16,22-tetraen-18-yl)-10,12-dimethyltetradecanimidate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
139588477
SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@@H]1CCCNC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)CCC4=CC=C(C=C4)O)[C@@H](CC(=O)N)O)C)O
Canonical SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@@H]1CCCNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O

名称与同义词

  • Pneumocandin A4
  • RefChem:174958
  • CHEBI:214403
  • BBF-02038
  • (10R,12S)-N-[(3S,6S,9S,11R,15S,18R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-6-[2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
  • (10R,12S)-N-((3S,6S,9S,11R,15S,18R,24S,25S,26S)-3-((1R)-3-amino-1-hydroxy-3-oxopropyl)-11,25-dihydroxy-15-((1R)-1-hydroxyethyl)-6-(2-(4-hydroxyphenyl)ethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo(22.3.0.09,13)heptacosan-18-yl)-10,12-dimethyltetradecanamide
  • (10R,12S)-N-((3S,6S,9S,11R,15S,18R,24S,25S,26S)-5,8,11,17,23,25-Hexahydroxy-3-((1R)-1-hydroxy-2-(C-hydroxycarbonimidoyl)ethyl)-15-((1R)-1-hydroxyethyl)-6-(2-(4-hydroxyphenyl)ethyl)-26-methyl-2,14-dioxo-1,4,7,13,16,22-hexaazatricyclo(22.3.0.0,)heptacosa-4,7,16,22-tetraen-18-yl)-10,12-dimethyltetradecanimidate
  • (10R,12S)-N-[(3S,6S,9S,11R,15S,18R,24S,25S,26S)-5,8,11,17,23,25-Hexahydroxy-3-[(1R)-1-hydroxy-2-(C-hydroxycarbonimidoyl)ethyl]-15-[(1R)-1-hydroxyethyl]-6-[2-(4-hydroxyphenyl)ethyl]-26-methyl-2,14-dioxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0,]heptacosa-4,7,16,22-tetraen-18-yl]-10,12-dimethyltetradecanimidate
  • 10,12-Dimethyl-tetradecanoic acid {3-(2-carbamoyl-1-hydroxy-ethyl)-11,25-dihydroxy-15-(1-hydroxy-ethyl)-6-[2-(4-hydroxy-phenyl)-ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0~9,13~]heptacos-18-yl}-amide