Name: AD-1
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT219159137
Cas No:76515-02-1
常用名:AD-1
别名:AD1, AD 1
IUPAC:(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one; methanesulfonic acid
IUPAC:(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one; methanesulfonic acid
InChI key:WQMBOBVNKXBISQ-APFPTVFQSA-N

分子式:C67H83N5O27S
分子量:1422.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)O[C@@]21O.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES:CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)O[C@@]21O.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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