Name: YM-254890
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212673528
Cas No:568580-02-9
常用名:YM-254890
IUPAC:(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-18-benzyl-21-acetamido-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentaazacyclodocosan-6-yl]-2-methylpropyl (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
IUPAC:(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-18-benzyl-21-acetamido-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentaazacyclodocosan-6-yl]-2-methylpropyl (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
InChI key:QVYLWCAYZGFGNF-WBWCVGBTSA-N

分子式:C46H69N7O15
分子量:960.092
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:-0.5007888
SMILES:CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C
SMILES:CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C

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