Name: RETF-4NA
Rating: 5 (10 reviews)

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HIT ID:HIT212709215
Cas No:1160928-63-1
常用名:RETF-4NA
IUPAC:(4S)-4-[(Z)-[(2S)-5-carbamimidamido-1-hydroxy-2-[(Z)-(1-hydroxyethylidene)amino]pentylidene]amino]-4-[(Z)-[(1S,2R)-2-hydroxy-1-[(Z)-[(1S)-1-[(4-nitrophenyl)carbamoyl]-2-phenylethyl]-C-hydroxycarbonimidoyl]propyl]-C-hydroxycarbonimidoyl]butanoic acid
IUPAC:(4S)-4-[(Z)-[(2S)-5-carbamimidamido-1-hydroxy-2-[(Z)-(1-hydroxyethylidene)amino]pentylidene]amino]-4-[(Z)-[(1S,2R)-2-hydroxy-1-[(Z)-[(1S)-1-[(4-nitrophenyl)carbamoyl]-2-phenylethyl]-C-hydroxycarbonimidoyl]propyl]-C-hydroxycarbonimidoyl]butanoic acid
InChI key:MGCWUIJMQAZRNY-SJYYQWPBSA-N

分子式:C32H43N9O10
分子量:713.749
氢键供体数 (HBD):10
氢键受体数 (HBA):17
LogP:0.11720282
SMILES:[H][C@](C)(O)[C@]([H])(\N=C(/O)[C@]([H])(CCC(O)=O)\N=C(/O)[C@]([H])(CCCNC(N)=N)\N=C(\C)O)C(\O)=N\[C@@]([H])(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(=O)=O
SMILES:[H][C@](C)(O)[C@]([H])(\N=C(/O)[C@]([H])(CCC(O)=O)\N=C(/O)[C@]([H])(CCCNC(N)=N)\N=C(\C)O)C(\O)=N\[C@@]([H])(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(=O)=O

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