4-甲基色氨酸 | 1954-45-6
4-甲基色氨酸
2-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
1954-45-6
C12H14N2O2
218.25176
名称和标识符
MDL |
MFCD00055987 |
InChIKey |
FPJGLSZLQLNZIW-UHFFFAOYSA-N |
Inchi |
InChI=1S/C12H14N2O2/c1-7-3-2-4-10-11(7)8(6-14-10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16) |
SMILES |
CC1=C2C(=CNC2=CC=C1)CC(C(=O)O)N |
别名信息
- 英文别名 -
- DL-Tryptophan,4-methyl-
- 2-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
- 4-METHYL-DL-TRYPTOPHAN
- H-4-Me-DL-Trp-OH
- H-Trp(4-Me)-OH
- 4-Methyltryptophan
- AmbotzHAA7810
- DL-Tryptophan,4-methyl
- CS-W020502
- DS-13334
- 4-Methyltryptophan #
- AKOS022926987
- SCHEMBL109837
- 4-Methyl-DL-tryptophan
- EN300-369975
- M-5000
- EINECS 217-785-2
- NSC-71048
- 1954-45-6
- CHEMBL563629
- NSC 71048
- SCHEMBL18028997
- NSC71048
- 2-amino-3-(4-methyl-1H-indol-3-yl)propanoicacid
- FT-0619080
- A934658
- F52887
- FPJGLSZLQLNZIW-UHFFFAOYSA-N
- DL-2-Amino-3-(4-methylindolyl)propionic acid
- Tryptophan, 4-methyl-
- SY263324
- MFCD00055987
物化性质
实验特性
LogP |
2.13100 |
PSA |
79.11000 |
沸点 |
454.1 °C at 760 mmHg |
闪点 |
228.4 °C |
密度 |
1.313 |
计算特性
精确分子量 |
218.10600 |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
同位素质量 |
218.105528 |
重原子数量 |
16 |
复杂度 |
270 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
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) |
_0.7 |
拓扑分子极性表面积 |
79.1 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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相关文献
-
1.
Characterisation of 6-DMATSMo from Micromonospora olivasterospora leading to identification of the divergence in enantioselectivity, regioselectivity and multiple prenylation of tryptophan prenyltransferases
Julia Winkelblech,Xiulan Xie,Shu-Ming Li Org. Biomol. Chem. 2016 14 9883
-
2.
Mechanistic studies on the indole prenyltransferases
Martin E. Tanner Nat. Prod. Rep. 2015 32 88
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3.
Mechanistic studies on the indole prenyltransferases
Martin E. Tanner Nat. Prod. Rep. 2015 32 88
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4.
Biosynthesis of the ergot alkaloids
Dorota Jakubczyk,Johnathan Z. Cheng,Sarah E. O'Connor Nat. Prod. Rep. 2014 31 1328
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5.
Ergot alkaloids: structure diversity, biosynthetic gene clusters and functional proof of biosynthetic genes
Christiane Wallwey,Shu-Ming Li Nat. Prod. Rep. 2011 28 496
-
6.
141. The synthesis of the nuclear-C-methylated tryptophans. A note on the aldehyde reactions for tryptophan
H. N. Rydon J. Chem. Soc. 1948 705
-
7.
Biochemistry
E. Boyland,J. Lascelles,S. P. Datta,D. M. Needham,N. F. Maclagan,J. H. Wilkinson Annu. Rep. Prog. Chem. 1952 49 252
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