CAS号:78832-65-2-N-[3-(2-Furyl)acryloyl]-Leu-Gly-Pro-Ala

1. 主信息

英文名:	Falgpa
中文名:	N-[3-(2-Furyl)acryloyl]-Leu-Gly-Pro-Ala
CAS编号:	78832-65-2
化学分子式：	C₂₃H₃₂N₄O₇
化学分子量：	476.5 g/mol
SMILES：	CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C=CC2=CC=CO2
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-furanacryloyl-L-leucylglycyl-L-prolyl-L-alanine 2-furanacryloyl-Leu-Gly-Pro-Ala 2-furanacryloyl-leucyl-glycyl-prolyl-alanine 3-(2-furylacryloyl)leucyl-glycyl-prolyl-alanine FALGPA

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	97%	960	−20°C	现货	-
科华智慧	25mg	97%	1760	−20°C	现货	-
科华智慧	100mg	97%	5200	−20°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 66 67 0 1 0 0 0 0 0999 V2000 3.6626 -0.0111 1.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 1.2595 -0.8236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 2.0202 1.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 -2.9061 -1.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -4.6084 -0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 -0.1102 -1.4602 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8856 -3.6166 1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 2.1736 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 -1.2090 -0.3742 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 3.1725 -0.1577 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 1.1222 0.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 1.1799 -0.4840 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5098 1.8021 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 2.7038 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 3.2258 0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 -0.0596 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 2.1665 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 3.3632 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 2.4070 -0.1204 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4957 3.5642 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 3.5346 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -2.5336 0.2014 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2388 2.5113 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7873 4.6790 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7775 3.5966 -1.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8106 -3.1262 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 -3.4572 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 -0.0369 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5579 -1.2241 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 -2.4290 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 -3.6243 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -4.8996 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6942 -5.7289 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2924 -4.9011 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8758 0.9777 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7404 2.4189 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 1.0692 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 2.1121 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0976 3.5079 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 3.4296 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 4.1332 0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 4.2817 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1237 3.4218 1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5002 -1.1302 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 2.4314 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 4.5170 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 3.5568 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 2.5952 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 3.5374 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -2.4447 1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3571 5.6528 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9017 4.6370 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7862 4.6196 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 2.6935 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7672 3.6761 -2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 4.4630 -2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 1.0666 1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -2.4870 0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -4.1182 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5331 -3.2345 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 -1.0815 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6113 -3.5341 -1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 -2.5388 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2414 -5.2037 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8368 -6.7962 0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 -5.0623 1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 62 1 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 31 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 9 44 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 0 0 0 0 10 49 1 0 0 0 0 11 19 1 0 0 0 0 11 28 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 34 2 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid

4.2 InChl

InChI=1S/C23H32N4O7/c1-14(2)12-17(26-19(28)9-8-16-6-5-11-34-16)21(30)24-13-20(29)27-10-4-7-18(27)22(31)25-15(3)23(32)33/h5-6,8-9,11,14-15,17-18H,4,7,10,12-13H2,1-3H3,(H,24,30)(H,25,31)(H,26,28)(H,32,33)/b9-8+/t15-,17-,18-/m0/s1

4.3 InChlKey

ZLFQNOJSYZSINX-PVJKAEHXSA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C=CC2=CC=CO2

4.5 lsomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/C2=CC=CO2

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