Name: PD 125754
Rating: 5 (10 reviews)

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HIT ID:HIT212713266
Cas No:124339-32-8
常用名:PD 125754
别名:PD-125754, PD125754
IUPAC:tert-butyl N-[(2S,3S)-5-{[(2S,3S)-4-{[(1S)-1-({[3-(aminomethyl)phenyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
IUPAC:tert-butyl N-[(2S,3S)-5-{[(2S,3S)-4-{[(1S)-1-({[3-(aminomethyl)phenyl]methyl}carbamoyl)-3-methylbutyl]carbamoyl}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
InChI key:VRJLGQJDRSVEKS-LTLCPEALSA-N

分子式:C42H65N5O7
分子量:752.01
氢键供体数 (HBD):7
氢键受体数 (HBA):7
LogP:4.339488
SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1
SMILES:CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1

PD 125754 is a Renin inhibitor, which represents a group of pharmaceutical drugs used primarily to treat essential hypertension.

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