Name: CH 66
Rating: 5 (10 reviews)

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HIT ID:HIT212710994
Cas No:139890-66-7
常用名:CH 66
别名:Piv-his-pro-phe-leu(OH)leu-tyr-tyr-ser-NH2, CH-66, CH66
别名:Piv-his-pro-phe-leu(OH)leu-tyr-tyr-ser-NH2, CH-66, CH66
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-({2-[(2S)-2-{[(2S)-1-[(2S)-2-(2,2-dimethylpropanamido)-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-1-hydroxy-4-methylpentyl}amino)-4-methylpentanamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-({2-[(2S)-2-{[(2S)-1-[(2S)-2-(2,2-dimethylpropanamido)-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-1-hydroxy-4-methylpentyl}amino)-4-methylpentanamide
InChI key:IOODFRUCBCPLAP-WRPOBCEFSA-N

分子式:C58H81N11O12
分子量:1124.351
氢键供体数 (HBD):13
氢键受体数 (HBA):14
LogP:2.365067
SMILES:CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O
SMILES:CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)C)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O

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