Name: PDZ1 Domain inhibitor peptide
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212709493
Cas No:1315378-73-4
常用名:PDZ1 Domain inhibitor peptide
IUPAC:(2S)-2-[(Z)-[(2R)-2-[(Z)-{[(1Z,2S,3Z,5S,8E,14S)-14-[(Z)-[(2S)-6-amino-2-[(Z)-[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyhexylidene]amino]-3,8,15-trihydroxy-2-[(1R)-1-hydroxyethyl]-1,4,9-triazacyclopentadeca-1(15),3,8-trien-5-yl](hydroxy)methylidene}amino]-1-hydroxypropylidene]amino]-3-methylbutanoic acid
IUPAC:(2S)-2-[(Z)-[(2R)-2-[(Z)-{[(1Z,2S,3Z,5S,8E,14S)-14-[(Z)-[(2S)-6-amino-2-[(Z)-[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyhexylidene]amino]-3,8,15-trihydroxy-2-[(1R)-1-hydroxyethyl]-1,4,9-triazacyclopentadeca-1(15),3,8-trien-5-yl](hydroxy)methylidene}amino]-1-hydroxypropylidene]amino]-3-methylbutanoic acid
InChI key:XXRRADBJCXMGOW-RMLJCASOSA-N

分子式:C38H61N9O11
分子量:819.958
氢键供体数 (HBD):12
氢键受体数 (HBA):20
LogP:0.39120048
SMILES:[H][C@](N)(Cc1ccc(O)cc1)C(\O)=N\[C@@]([H])(CCCCN)C(\O)=N\[C@@]1([H])CCCC\N=C(O)/CC[C@]([H])(\N=C(O)\[C@@]([H])(\N=C1/O)[C@@]([H])(C)O)C(\O)=N\[C@@]([H])(C)C(\O)=N\[C@@]([H])(C(C)C)C(O)=O |c:38,t:31,43|
SMILES:[H][C@](N)(Cc1ccc(O)cc1)C(\O)=N\[C@@]([H])(CCCCN)C(\O)=N\[C@@]1([H])CCCC\N=C(O)/CC[C@]([H])(\N=C(O)\[C@@]([H])(\N=C1/O)[C@@]([H])(C)O)C(\O)=N\[C@@]([H])(C)C(\O)=N\[C@@]([H])(C(C)C)C(O)=O |c:38,t:31,43|

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