Name: Sut 8701
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212718371
Cas No:123577-73-1
常用名:Sut 8701
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[(dimethylphosphoryl)oxy]phenyl}propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[(dimethylphosphoryl)oxy]phenyl}propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
InChI key:JRVNBKJTGABELE-WGXSSYHUSA-N

分子式:C54H74N9O13P
分子量:1088.21
氢键供体数 (HBD):10
氢键受体数 (HBA):11
LogP:2.53294
SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(C)(C)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(C)(C)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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