分子结构:
CCD编号:CCD00165696
GLU-ALA-GLY-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-TYR-THR-TRP-THR-GLY-ALA
分子式:C81 H119 N19 O30 S2
分子量:1903.07
* If the product has intellectual property rights, a license granted is must or contact us.
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| 产品名称： | GLU-ALA-GLY-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-TYR-THR-TRP-THR-GLY-ALA |
| 英文同义词： | S5A/5B ; GLU-ALA-GLY-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-TYR-THR-TRP-THR-GLY-ALA ; H-GLU-ALA-GLY-ASP-ASP-ILE-VAL-PRO-CYS-SER-MET-SER-TYR-THR-TRP-THR-GLY-ALA-OH |
| MDL号： | MFCD00798783 |
| 氢键受体数量： | 49 |
| 氢键供体数量： | 27 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N |
| InChi： | InChI=1S/C81H119N19O30S2/c1-10-37(4)63(97-72(120)52(29-61(112)113)91-69(117)51(28-60(110)111)88-58(107)32-84-66(114)38(5)87-67(115)46(82)21-22-59(108)109)78(126)96-62(36(2)3)80(128)100-24-13-16-56(100)76(124)95-55(35-131)75(123)94-53(33-101)73(121)89-48(23-25-132-9)68(116)93-54(34-102)74(122)90-49(26-42-17-19-44(105)20-18-42)70(118)99-65(41(8)104)79(127)92-50(27-43-30-83-47-15-12-11-14-45(43)47)71(119)98-64(40(7)103)77(125)85-31-57(106)86-39(6)81(129)130/h11-12,14-15,17-20,30,36-41,46,48-56,62-65,83,101-105,131H,10,13,16,21-29,31-35,82H2,1-9H3,(H,84,114)(H,85,125)(H,86,106)(H,87,115)(H,88,107)(H,89,121)(H,90,122)(H,91,117)(H,92,127)(H,93,116)(H,94,123)(H,95,124)(H,96,126)(H,97,120)(H,98,119)(H,99,118)(H,108,109)(H,110,111)(H,112,113)(H,129,130)/t37-,38-,39-,40+,41+,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-,63-,64-,65-/m0/s1 |
| InChiKey： | InChIKey=MKIGAEZXUXVXSS-UEMCXGCWSA-N |
基本信息
* If the product has intellectual property rights, a license granted is must or contact us.
