Name: Antibiotic tan-592B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317857
Cas No:99685-75-3
常用名:Antibiotic tan-592B
别名:TAN-592B, TAN592B, TAN 592B, Cephabacin F5 hydrochloride
别名:TAN-592B, TAN592B, TAN 592B, Cephabacin F5 hydrochloride
IUPAC:3-[({4-[2-(2-amino-3-hydroxypropanamido)-3-hydroxypropanamido]-7-carbamimidamido-3-hydroxyheptanoyl}oxy)methyl]-7-(5-amino-5-carboxypentanamido)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
IUPAC:3-[({4-[2-(2-amino-3-hydroxypropanamido)-3-hydroxypropanamido]-7-carbamimidamido-3-hydroxyheptanoyl}oxy)methyl]-7-(5-amino-5-carboxypentanamido)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
InChI key:ZHBWRLCTGJXDSB-UHFFFAOYSA-N

分子式:C29H47ClN10O14S
分子量:827.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.NC(CO)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(O)CC(=O)OCC1=C(N2C(SC1)C(NC=O)(NC(=O)CCCC(N)C(O)=O)C2=O)C(O)=O |t:28|
SMILES:Cl.NC(CO)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(O)CC(=O)OCC1=C(N2C(SC1)C(NC=O)(NC(=O)CCCC(N)C(O)=O)C2=O)C(O)=O |t:28|

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