Name: ARL 15849XX
Rating: 5 (10 reviews)

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HIT ID:HIT212710869
Cas No:152548-39-5
常用名:ARL 15849XX
别名:FPL-15849, FPL15849, FPL 15849, ARL-15849XX, ARL15849XX
别名:FPL-15849, FPL15849, FPL 15849, ARL-15849XX, ARL15849XX
IUPAC:(3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-{2-[(2S)-2-{2-[4-(sulfooxy)phenyl]acetamido}hexanamido]acetamido}propanamido]-N-methylhexanamido]propanoic acid
IUPAC:(3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-{2-[(2S)-2-{2-[4-(sulfooxy)phenyl]acetamido}hexanamido]acetamido}propanamido]-N-methylhexanamido]propanoic acid
InChI key:UPYRHIUUCMHYRX-MQDBWYGVSA-N

分子式:C47H60N8O13S
分子量:977.1
氢键供体数 (HBD):9
氢键受体数 (HBA):12
LogP:2.0538929
SMILES:CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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