Basic Information |
|
| Product Name： | SEMASTATIN-5A2 |
| English Synonyms： | SER-PRO-TRP-THR-LYS-CYS-SER-ALA-THR-CYS-GLY-GLY-GLY-HIS-TYR-MET-ARG-THR-ARG ; SPWTKCSATCGGGHYMRTR ; SEMASTATIN-5A2 |
| MDL Number.： | MFCD11656195 |
| H bond acceptor： | 55 |
| H bond donor： | 34 |
| Smile： | C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)N)O |
| InChi： | InChI=1S/C87H135N29O26S3/c1-42(102-78(134)60(38-118)110-79(135)62(40-144)111-72(128)53(15-8-9-24-88)106-81(137)68(44(3)120)115-77(133)58(30-47-32-97-52-14-7-6-13-50(47)52)109-80(136)63-18-12-27-116(63)84(140)51(89)37-117)70(126)113-67(43(2)119)83(139)112-61(39-143)71(127)100-35-65(124)98-34-64(123)99-36-66(125)103-59(31-48-33-94-41-101-48)76(132)108-57(29-46-19-21-49(122)22-20-46)75(131)105-55(23-28-145-5)73(129)104-54(16-10-25-95-86(90)91)74(130)114-69(45(4)121)82(138)107-56(85(141)142)17-11-26-96-87(92)93/h6-7,13-14,19-22,32-33,41-45,51,53-63,67-69,97,117-122,143-144H,8-12,15-18,23-31,34-40,88-89H2,1-5H3,(H,94,101)(H,98,124)(H,99,123)(H,100,127)(H,102,134)(H,103,125)(H,104,129)(H,105,131)(H,106,137)(H,107,138)(H,108,132)(H,109,136)(H,110,135)(H,111,128)(H,112,139)(H,113,126)(H,114,130)(H,115,133)(H,141,142)(H4,90,91,95)(H4,92,93,96)/t42-,43+,44+,45+,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,67-,68-,69-/m0/s1 |
| InChiKey： | InChIKey=BMMYNGHWUQBWJQ-ZKXUYZCJSA-N |
* If the product has intellectual property rights, a license granted is must or contact us.
2010-2025 © Chemical Cloud Database. ALL Rights Reserved.浙ICP备11020424号-1
浙公网安备 33010802004002号
中文版