Name: Ro 23-7014
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214318617
Cas No:113714-78-6
常用名:Ro 23-7014
别名:Ro-23-7014
IUPAC:{4-[(2S)-2-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-phenylethyl](methyl)carbamoyl}-2-(sulfooxy)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-2-acetamidoethyl]phenyl}oxidanesulfonic acid
IUPAC:{4-[(2S)-2-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-phenylethyl](methyl)carbamoyl}-2-(sulfooxy)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-2-acetamidoethyl]phenyl}oxidanesulfonic acid
InChI key:YENMFBYMULJGLU-BOFCPEKLSA-N

分子式:C48H63N9O16S4
分子量:1150.32
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)OS(O)(=O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
SMILES:CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)OS(O)(=O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

Ro 23-7014, a new thiazepinone Ca2+ channel antagonist, has high affinity for peripheral (Type A) receptors.

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