CAS号:1477949-42-0-Santacruzamate A - santacruzamate A-科华智慧

1. 主信息

英文名:	santacruzamate A
中文名:	Santacruzamate A
CAS编号:	1477949-42-0
化学分子式：	C₁₅H₂₂N₂O₃
化学分子量：	278.35 g/mol
SMILES：	CCOC(=O)NCCCC(=O)NCCC1=CC=CC=C1
来源：	合成化合物
结构类型：	-
其它名称或标识：	CAY10683 ethyl 3-(phenethylcarbamoyl)propylcarbamate ethyl N-(4-oxo-4-(2-phenylethylamino)butyl)carbamate santacruzamate A

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	98%	192	-20℃	现货	-
科华智慧	10mg	98%	268	-20℃	现货	-
科华智慧	50mg	98%	768	-20℃	现货	-
科华智慧	200mg	98%	2432	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 42 42 0 0 0 0 0 0 0999 V2000 -0.9480 -3.4944 0.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 1.3652 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 -0.5216 0.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 -1.7798 -0.8967 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 -0.5461 0.5449 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -2.8242 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 -2.4874 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 -1.7545 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2444 -0.7994 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.9287 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -2.6589 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 0.6333 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 1.1179 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 1.4731 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 2.4424 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6605 2.7974 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 0.0455 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 3.2821 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3688 2.1026 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 3.5355 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 -3.8665 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -2.7477 -0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6257 -1.4655 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -3.1554 -2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -2.7674 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7467 -1.4587 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 -0.8628 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -1.1142 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 -1.9926 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8184 -2.2589 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -1.1266 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 0.0336 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 0.4756 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 1.1065 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 2.8196 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 3.4513 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 4.3134 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 1.6521 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0197 2.0764 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3374 3.5766 -1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 3.9937 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8971 4.1290 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate

4.2 InChl

InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)

4.3 InChlKey

HTOYBIILVCHURC-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC(=O)NCCCC(=O)NCCC1=CC=CC=C1

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型