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N-叔丁氧羰基-D-1,2,3,4-四氢-beta-咔啉-3-甲酸 | 123910-26-9

N-叔丁氧羰基-D-1,2,3,4-四氢-beta-咔啉-3-甲酸结构式图片|123910-26-9结构式图片
N-叔丁氧羰基-D-1,2,3,4-四氢-beta-咔啉-3-甲酸
Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic Acid
123910-26-9
C17H19N2O4-
315.34376
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-叔丁氧羰基-D-1,2,3,4-四氢-beta-咔啉-3-甲酸结构式
1268156
名称和标识符
MDL MFCD00672321
InChIKey FHEPEWKHTOVVAT-CQSZACIVSA-N
Inchi InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)/t14-/m1/s1
SMILES CC(C)(C)OC(=O)N1CC2=C(C[C@@H]1C(=O)O)C3=CC=CC=C3N2
别名信息
- 中文别名 -
  • N-叔丁氧羰基-D-1,2,3,4-四氢-beta-咔啉-3-甲酸
  • (R)-2-叔丁氧羰基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-3-甲酸
  • N-BOC-D-1,2,3,4-四氢-BETA-咔啉-3-甲酸
  • alpha-(2-呋喃甲基亚磺酰基)乙酸-(4-硝基苯酚)酯
  • Boc-D-1 ,2,3,4-tetrahydronorharman-3-羧酸
  • BOC-D-1,2,3,4-TETRAHYDRONORHARMAN-3-甲酸
  • Boc-D-1,2,3,4-四氢去甲哈尔满-3-甲酸
  • N-叔丁氧羰基-D-1,2,3,4-四氢-beta-咔啉-3-甲酸|Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
  • N-BOC-D-1,2,3,4-四氢-Β-咔啉-3-甲酸
  • BOC-D-1,2,3,4-四氢去甲哈尔满-3-甲酸
  • N-叔丁氧羰基-D-1,2,3,4-四氢-BETA-咔啉-3-甲酸
  • (R)-2-叔丁氧羰基)-2,3,4,9-四氢-1H-吡啶并[3,4-B]吲哚-3-甲酸
- 英文别名 -
  • N-Boc-D-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
  • (R)-2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
  • Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
  • (R)-2-Boc-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
  • Boc-D-1,2,3,4-tetrahydro-norharman-3-carboxylicacid
  • Boc-D-1,2,3,4-Tetrahydro-β-carbolin-3-carboxylic acid
  • Boc-D-Tpi-OH
  • N-α-Boc-D-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
  • (3R)-2-tert-butoxycarbonyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid
  • (R)-1,3,4,9-Tetrahydro-b-carboline-2,3-dicarboxylic acid 2-tert-butyl ester
  • Boc-D-1,2,3,4-Tetrahydro-b-Carbolin-3-CarboxylicAcid
  • BOC-D-THNH(3)
  • BOC-D-TPI
  • BOC-D-TRYPTOLINE-3-CARBOXYLIC ACID
  • n-boc-d-1,2,3,4-tetrahydronorharman-3-carboxylic acid
  • RARECHEM BK PT 0086
  • Boc-D-Tπ-OH
  • BOC-D-THNH(3)-OH
  • Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic
  • N-α-Boc-D-1,2,3,4-tetrahydronorharmane-3-carboxyl
  • Boc-D-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-
  • MLS001359874
  • EN300-1589920
  • AS-35027
  • (3R)-2-BOC-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid
  • (3R)-2-[(tert-butoxy)carbonyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
  • A-Boc-D-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
  • CHEMBL1903088
  • N-alpha-(t-Butyloxycarbonyl)-1,2,3,4,-tetrahydronorharman-D-3-carboxylic acid
  • SMR001224403
  • FHEPEWKHTOVVAT-CQSZACIVSA-N
  • Boc-D-1,2,3,4-tetrahydro-norharman-3-carboxylic acid
  • Boc-D-Tpi-OH
  • Boc-D-1,2,3,4-Tetrahydro--carboline-3-carboxylic acid
  • Boc-D-tryptoline-3-carboxylic acid
  • Boc-D-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid
  • HMS3056L12
  • AKOS024285062
  • (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
  • CS-0171737
  • SCHEMBL8243497
  • (R)-2-(tert-butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
  • MFCD00672321
  • J-004994
  • N-
  • N-alpha-(t-Butyloxycarbonyl)-1,2,3,4-tetrahydronorharman-D-3-carboxylic acid
  • 123910-26-9
  • N-BOC-D-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid
  • (R)-2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxylicacid
  • BOC-D-TPI-OH
  • BOC-D-1,2,3,4-TETRAHYDRONORHARMAN-3-CARBOXYLIC ACID
物化性质
实验特性
LogP 2.85220
PSA 82.56
沸点 525.6°Cat760mmHg
闪点 271.7°C
颜色与性状 Solid
溶解性 无可用
密度 1.322
计算特性
精确分子量 314.12674
氢键供体数量 2
氢键受体数量 6
可旋转化学键数量 4
同位素质量 316.142
重原子数量 23
复杂度 482
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.1
表面电荷 -1
拓扑分子极性表面积 85.5
海关数据
海关编码 29339900
专业数据库参考
PubChemId 1268156
化合物详情(旧版)

SMILES

O=C([O-])[C@@H]1N(C(=O)OC(C)(C)C)CC2=C(C1)C3C(=CC=CC=3)N2

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