Name: Emd 55068
Rating: 5 (10 reviews)

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HIT ID:HIT212711032
Cas No:126784-34-7
常用名:Emd 55068
别名:Emd-55068, Emd55068
IUPAC:6-amino-N-[(1S)-1-[({[(2S,3S)-4-{[(1S,2S)-1-{[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]carbamoyl}-2-methylbutyl]carbamoyl}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]hexanamide
IUPAC:6-amino-N-[(1S)-1-[({[(2S,3S)-4-{[(1S,2S)-1-{[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]carbamoyl}-2-methylbutyl]carbamoyl}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]hexanamide
InChI key:BKSNOOPXMCZMDE-IPOFPIEFSA-N

分子式:C41H65N9O6
分子量:780.028
氢键供体数 (HBD):8
氢键受体数 (HBA):10
LogP:0.9350701
SMILES:CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)NCc1nc(C)c(C)nc1N
SMILES:CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)NCc1nc(C)c(C)nc1N

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