CAS号:1333231-44-9-Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester - Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester-科华智慧

1. 主信息

英文名:	Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester
中文名:	Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester
CAS编号:	1333231-44-9
化学分子式：	C₂₁H₂₉N₃O₅
化学分子量：	403.5 g/mol
SMILES：	CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2
来源：	合成化合物
结构类型：	-
其它名称或标识：	GC-373 GC373 phenylmethyl N-((1S)-1-((((1S)-1-formyl-2-(2-oxo-3-pyrrolidinyl)ethyl)amino)carbonyl)-3-methylbutyl)carbamate

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	100mg	98%	2544	-20℃	现货	-
科华智慧	250mg	98%	4240	-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 58 59 0 1 0 0 0 0 0999 V2000 2.9815 2.8046 -1.6439 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -0.6688 -1.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1902 -0.6754 -0.9281 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5144 -0.2376 0.1356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 0.1050 1.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 4.1541 0.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -0.9501 -0.0926 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6878 -1.5162 -0.1583 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 1.9369 0.6397 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2479 1.0051 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.7956 1.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 -0.1202 -0.6186 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4445 4.0111 1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 2.9817 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 -2.0287 0.0573 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7725 -3.4968 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1839 -4.4674 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 -1.1572 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 -1.0497 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -5.9047 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -4.4225 1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -0.4926 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 0.8074 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 0.9579 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 1.8348 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 0.2208 0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0441 1.9747 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9211 0.3606 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1165 1.2375 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.3948 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 1.5703 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 0.5609 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 3.1020 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 2.2772 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 0.2796 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 3.8420 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 4.9161 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 5.0057 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -1.9104 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -3.8237 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -3.5750 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -1.4281 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.1559 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 -2.0864 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2317 -1.8903 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -5.9576 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -6.5680 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -6.2890 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 -3.4541 2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 -5.1774 2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 -4.6189 2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 1.7475 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3032 0.5618 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 2.4130 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5135 -0.4672 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1961 2.6571 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7561 -0.2137 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1035 1.3462 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 22 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 38 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 42 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 19 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

benzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate

4.2 InChl

InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1

4.3 InChlKey

QYENXTYKACLCGO-FQECFTEESA-N

4.4 Canonical SMILES

CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2

4.5 lsomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2

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