Name: Bim 21009
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711621
Cas No:106881-54-3
常用名:Bim 21009
别名:LHRH-Ncpapa, LHRHNcpapa, LHRH Ncpapa, Bim-21009, Bim21009
别名:LHRH-Ncpapa, LHRHNcpapa, LHRH Ncpapa, Bim-21009, Bim21009
IUPAC:(2R)-5-carbamimidamido-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanamide
IUPAC:(2R)-5-carbamimidamido-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanamide
InChI key:KNXGSADBVSBWML-OTCVFGFMSA-N

分子式:C74H92ClN17O13
分子量:1463.11
氢键供体数 (HBD):18
氢键受体数 (HBA):19
LogP:-0.5953371
SMILES:C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
SMILES:C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O

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