Chemical Compound
[(2S)-2-{[(2R,3R)-1-[(1S,5S,6R,8R,10R,12S)-6-{[2-(2-amino-4,7-dihydro-1H-1,3-diazepin-5-yl)ethyl]carbamoyl}-10-{[(2S,3R,4S,5S,6R)-3-(hexanoyloxy)-6-[(hexanoyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}-12-hydroxy-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-7-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methoxyethoxy]sulfonic acid
Primary record
[(2S)-2-{[(2R,3R)-1-[(1S,5S,6R,8R,10R,12S)-6-{[2-(2-amino-4,7-dihydro-1H-1,3-diazepin-5-yl)ethyl]carbamoyl}-10-{[(2S,3R,4S,5S,6R)-3-(hexanoyloxy)-6-[(hexanoyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}-12-hydroxy-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-7-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methoxyethoxy]sulfonic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 102411751
- SMILES
- CCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2C[C@@H]3[C@@H]([C@]4(C2)[C@H]([C@@H](N3C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](COS(=O)(=O)O)OC)C(=O)NCCC5=CCNC(=NC5)N)NC(=O)O4)O)OC(=O)CCCCC)O)O
- Canonical SMILES
- CCCCCC(=O)OC[C@H]1O[C@H](O[C@@H]2C[C@@H]3[C@H](O)[C@@]4(C2)OC(=O)N[C@H]4[C@H](C(=O)NCCC2=CCNC(N)=NC2)N3C(=O)[C@H](NC(=O)[C@H](COS(=O)(=O)O)OC)[C@H](C)CC)[C@H](OC(=O)CCCCC)[C@@H](O)[C@@H]1O
名称与同义词
- Spumigin HKVV
- J2.653.061J
- (1R,9S)-N-[2-(2-Amino-4,7-dihydro-1H-1,3-diazepine-5-yl)ethyl]-2-[N-[(S)-2-methoxy-3-(sulfooxy)propanoyl]-D-isoleucyl]-4alpha,5beta-(iminocarbonyloxy)-7alpha-(2-O,6-O-dihexanoyl-alpha-D-glucopyranosyloxy)-9-hydroxy-2-azabicyclo[3.3.1]nonane-3beta-carboxamide
- [(2S)-2-{[(2R,3R)-1-[(1S,5S,6R,8R,10R,12S)-6-{[2-(2-amino-4,7-dihydro-1H-1,3-diazepin-5-yl)ethyl]carbamoyl}-10-{[(2S,3R,4S,5S,6R)-3-(hexanoyloxy)-6-[(hexanoyloxy)methyl]-4,5-dihydroxyoxan-2-yl]oxy}-12-hydroxy-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-7-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methoxyethoxy]sulfonic acid