Basic Information |
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| Product Name： | SCOSPONDISTATIN |
| English Synonyms： | GPWEDCSVSCGGGEQLRSR ; GLY-PRO-TRP-GLU-ASP-CYS-SER-VAL-SER-CYS-GLY-GLY-GLY-GLU-GLN-LEU-ARG-SER-ARG ; SCOSPONDISTATIN |
| MDL Number.： | MFCD11656193 |
| H bond acceptor： | 57 |
| H bond donor： | 33 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]3CCCN3C(=O)CN |
| InChi： | InChI=1S/C81H127N27O30S2/c1-37(2)24-47(70(128)95-42(12-7-21-88-80(84)85)66(124)102-50(32-109)73(131)98-46(79(137)138)13-8-22-89-81(86)87)99-68(126)44(15-18-56(83)112)96-67(125)43(16-19-61(117)118)94-59(115)31-92-57(113)29-91-58(114)30-93-65(123)53(35-139)105-74(132)51(33-110)104-78(136)64(38(3)4)107-75(133)52(34-111)103-76(134)54(36-140)106-72(130)49(26-63(121)122)100-69(127)45(17-20-62(119)120)97-71(129)48(25-39-28-90-41-11-6-5-10-40(39)41)101-77(135)55-14-9-23-108(55)60(116)27-82/h5-6,10-11,28,37-38,42-55,64,90,109-111,139-140H,7-9,12-27,29-36,82H2,1-4H3,(H2,83,112)(H,91,114)(H,92,113)(H,93,123)(H,94,115)(H,95,128)(H,96,125)(H,97,129)(H,98,131)(H,99,126)(H,100,127)(H,101,135)(H,102,124)(H,103,134)(H,104,136)(H,105,132)(H,106,130)(H,107,133)(H,117,118)(H,119,120)(H,121,122)(H,137,138)(H4,84,85,88)(H4,86,87,89)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,64-/m0/s1 |
| InChiKey： | InChIKey=DVQZDIUCZIWRMQ-LWYCJMMPSA-N |
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