Chemical Compound

N-((2R,6S,9S,11R,12R,14aS,16R,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxy-3-oxopropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,16-tetrahydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide

CAS Registry Number 144074-96-4
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N-((2R,6S,9S,11R,12R,14aS,16R,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxy-3-oxopropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,16-tetrahydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide 结构式
Primary record

N-((2R,6S,9S,11R,12R,14aS,16R,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxy-3-oxopropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,16-tetrahydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide

库存
2,497 克
纯度
98.4 %
CAS
144074-96-4

化合物标识与属性

CAS
144074-96-4
PubChem CID
100954732
SMILES
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2C[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)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O
Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(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 C0
  • Pneumocandin C(0)
  • Caspofungin Impurity 27
  • Caspofungin Pneumocandin C0
  • orb2802058
  • Caspofungin Pneumocandin C0 Impurity
  • C50-H80-N8-O17
  • 144074-96-4
  • J1.059.150C
  • H50324
  • N-((2R,6S,9S,11R,12R,14aS,16R,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxy-3-oxopropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,16-tetrahydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide
  • Cyclo[L-Thr-4beta-hydroxy-L-Pro-[(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-Thr-]-[(3R)-3-hydroxy-L-Gln-]-4beta-hydroxy-L-Pro-[(4R,5R)-4,5-dihydroxy-N2-(10,12-dimethyl-1-oxotetradecyl)-L-Orn*-]]
  • N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,26R)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,26-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide