Chemical Compound

5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{4-[(3S,6S,9S,15S,21S,24S,27S,33S)-27-{4-[2-({[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}imino)acetamido]butyl}-3,9,21,24-tetramethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]butyl}pentanamide

5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{4-[(3S,6S,9S,15S,21S,24S,27S,33S)-27-{4-[2-({[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}imino)acetamido]butyl}-3,9,21,24-tetramethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]butyl}pentanamide 结构式
Primary record

5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{4-[(3S,6S,9S,15S,21S,24S,27S,33S)-27-{4-[2-({[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}imino)acetamido]butyl}-3,9,21,24-tetramethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]butyl}pentanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
24813339
SMILES
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N1)C)C)CCCCNC(=O)/C=N/O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)C)CCCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7
Canonical SMILES
C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)/C=N/O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)NC1=O

名称与同义词

  • J2.585.749F
  • 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-{4-[(3S,6S,9S,15S,21S,24S,27S,33S)-27-{4-[2-({[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}imino)acetamido]butyl}-3,9,21,24-tetramethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decaazatricyclo[31.3.0.015,19]hexatriacontan-6-yl]butyl}pentanamide
  • Cyclo(L-Pro-Gly-L-Ala-N6-[5-[(1beta,5beta)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]octane-6alpha-yl]pentanoyl]-L-Lys-L-Ala-L-Pro-Gly-N6-[[[[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy]imino]acetyl]-L-Lys-L-Ala-L-Ala-)