| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| E668096-1mg |
1mg |
期货  |
| |
| E668096-5mg |
5mg |
期货 |
|
| 别名 | 依多曲肽 |
|---|---|
| 英文别名 | Edotreotide | DOTATOC | SMT-487 | SMT 487 | SMT487 | U194AS08HZ | 173606-11-6 | Edotreotide [USAN] | Edotreotide [USAN:INN] | UNII-U194AS08HZ | DOTA-TOC | N-Acetyl-Lys-Octreotide | EDOTREOTIDE [MI] | EDOTREOTIDE [INN] | RZHKDBRREKOZEW-AAXZNHDCSA-N | DTXSI |
| 英文名称 | Edotreotide |
| ALogP | -7.2 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | 2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| INCHI | 1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1 |
| InChi Key | RZHKDBRREKOZEW-AAXZNHDCSA-N |
| Smiles | CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(C)O)O |
| Isomeric SMILES | C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O |
| PubChem CID | 158782 |
| 分子量 | 1421.6 |
| 分子量 | 1421.600 g/mol |
|---|---|
| XLogP3 | -7.200 |
| 氢键供体数Hydrogen Bond Donor Count | 17 |
| 氢键受体数Hydrogen Bond Acceptor Count | 25 |
| 可旋转键计数Rotatable Bond Count | 26 |
| 精确质量Exact Mass | 1420.62 Da |
| 单同位素质量Monoisotopic Mass | 1420.62 Da |
| 拓扑极表面积Topological Polar Surface Area | 531.000 Ų |
| 重原子数Heavy Atom Count | 99 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 2620.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 10 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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