Name: Echinoserine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600319
Cas No:167324-03-0
常用名:Echinoserine
IUPAC:2-[3-({2-[(1-carboxy-2-methylpropyl)(methyl)carbamoyl]-2-(2-{3-hydroxy-2-[(quinoxalin-2-yl)formamido]propanamido}-N-methylpropanamido)ethyl}sulfanyl)-2-(2-{3-hydroxy-2-[(quinoxalin-2-yl)formamido]propanamido}-N-methylpropanamido)-N-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid
IUPAC:2-[3-({2-[(1-carboxy-2-methylpropyl)(methyl)carbamoyl]-2-(2-{3-hydroxy-2-[(quinoxalin-2-yl)formamido]propanamido}-N-methylpropanamido)ethyl}sulfanyl)-2-(2-{3-hydroxy-2-[(quinoxalin-2-yl)formamido]propanamido}-N-methylpropanamido)-N-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid
InChI key:IZAHRQDCJNCMKL-UHFFFAOYSA-N

分子式:C51H68N12O14S2
分子量:1137.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSC(SCC(N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)c1cnc2ccccc2n1)C(=O)N(C)C(C(C)C)C(O)=O)C(N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)c1cnc2ccccc2n1)C(=O)N(C)C(C(C)C)C(O)=O
SMILES:CSC(SCC(N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)c1cnc2ccccc2n1)C(=O)N(C)C(C(C)C)C(O)=O)C(N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)c1cnc2ccccc2n1)C(=O)N(C)C(C(C)C)C(O)=O

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