CAS号:--- - 4-[[(30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]imino]-3-[[1,4-dihydroxy-2-[[1-hydroxy-2-[(1-hydroxy-10-methylundecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid-科华智慧

1. 主信息

英文名:	4-[[(30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]imino]-3-[[1,4-dihydroxy-2-[[1-hydroxy-2-[(1-hydroxy-10-methylundecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid
中文名:	-
CAS编号:	-
化学分子式：	C₇₄H₁₀₅N₁₇O₂₆
化学分子量：	1648.7 g/mol
SMILES：	C[C@@H]1[C@@H](C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NC(C(=NC(C(=O)O1)CC(=O)C2=CC=CC=C2N)O)C(C)CC(=O)O)O)CO)O)O)CC(=O)O)O)C)O)CC(=O)O)O)CCCN)O)O)N=C(C(CC(=O)O)N=C(C(CC(=N)O)N=C(C(CC3=CNC4=CC=CC=C43)N=C(CCCCCCCCC(C)C)O)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	-

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

回顶

3. 结构

3.1 二维结构

3.2 三维结构

补充中

回顶

4. 国际命名与标识

4.1 IUPAC Name

4-[[(30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]imino]-3-[[1,4-dihydroxy-2-[[1-hydroxy-2-[(1-hydroxy-10-methylundecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid

4.2 InChl

InChI=1S/C74H105N17O26/c1-36(2)17-10-8-6-7-9-11-23-55(95)83-46(26-40-32-78-44-21-15-13-18-41(40)44)68(110)86-47(28-54(77)94)69(111)88-50(31-61(104)105)70(112)91-63-39(5)117-74(116)51(27-53(93)42-19-12-14-20-43(42)76)89-73(115)62(37(3)25-58(98)99)90-71(113)52(35-92)84-57(97)33-79-65(107)48(29-59(100)101)85-64(106)38(4)81-67(109)49(30-60(102)103)87-66(108)45(22-16-24-75)82-56(96)34-80-72(63)114/h12-15,18-21,32,36-39,45-52,62-63,78,92H,6-11,16-17,22-31,33-35,75-76H2,1-5H3,(H2,77,94)(H,79,107)(H,80,114)(H,81,109)(H,82,96)(H,83,95)(H,84,97)(H,85,106)(H,86,110)(H,87,108)(H,88,111)(H,89,115)(H,90,113)(H,91,112)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/t37?,38?,39-,45?,46?,47?,48?,49?,50?,51?,52?,62?,63+/m1/s1

4.3 InChlKey

YSHHVIQRKLLKJS-UYEZGUGJSA-N

4.4 Canonical SMILES

C[C@@H]1[C@@H](C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NC(C(=NC(C(=O)O1)CC(=O)C2=CC=CC=C2N)O)C(C)CC(=O)O)O)CO)O)O)CC(=O)O)O)C)O)CC(=O)O)O)CCCN)O)O)N=C(C(CC(=O)O)N=C(C(CC(=N)O)N=C(C(CC3=CNC4=CC=CC=C43)N=C(CCCCCCCCC(C)C)O)O)O)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

回顶

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

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型