Name: BCPyr
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323672
Cas No:2669844-82-8
常用名:BCPyr
IUPAC:[5-({[(3S)-2-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
IUPAC:[5-({[(3S)-2-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
InChI key:PTEVOZUKHQQUNI-DLUJOBAXSA-N

分子式:C58H65F2N11O8
分子量:1082.224
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3cnc(COC(=O)N4CCC[C@H](C4)n4nc(c(C(N)=O)c4N)-c4ccc(Oc5ccc(F)cc5F)cc4)cn3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |@@:75|
SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3cnc(COC(=O)N4CCC[C@H](C4)n4nc(c(C(N)=O)c4N)-c4ccc(Oc5ccc(F)cc5F)cc4)cn3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |@@:75|

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