HCID178502425

Methyl [(2S)-3-methyl-1-{(2S,4S)-4-methyl-2-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C36H43BN4O6638.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc3cc4c(cc3c2[nH]1)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-4)C(C)C
InChIKey: NANRTICORMTVPZ-IJWSHSPWSA-N
分子式: C36H43BN4O6
平均分子量: 638.6 g/mol
单同位素质量: 638.3275653

COMPUTED

结构计算性质

已同步

极性表面积: 115 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 47
形式电荷: 0
复杂度: 1,170

ALIASES

名称与别名

共 6 条

Methyl [(2S)-3-methyl-1-{(2S,4S)-4-methyl-2-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamateMethyl [(2S)-3-methyl-1-{(2S,4S)-4-methyl-2-[9-[4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamateSCHEMBL8751796NANRTICORMTVPZ-IJWSHSPWSA-Nmethyl [(2S)-3-methyl-1-{(2S,4S)-4-methyl-2-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho [1,2-d]imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamateMethyl[(2S)-3-methyl-1-{(2S,4S)-4-methyl-2-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamate

REACTIONS