basic_info |
|
| Product_Name： | DABCYL-GAMMA-ABU-ARG-PRO-LYS-PRO-VAL-GLU-NVA-TRP-ARG-GLU(EDANS)-ALA-LYS-NH2 |
| CAS： | 202273-56-1 |
| EnglishSynonyms： | DABCYL-GAMMA-ABU-ARG-PRO-LYS-PRO-VAL-GLU-NVA-TRP-ARG-GLU(EDANS)-ALA-LYS-NH2 |
| pro_mdlNumber： | MFCD06809984 |
| pro_acceptors： | 48 |
| pro_donors： | 24 |
| pro_smile： | CCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)OS(=O)(=O)c3cccc4c3cccc4NCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCNC(=O)c7ccc(cc7)/N=N/c8ccc(cc8)N(C)C |
| InChi： | InChI=1S/C99H144N28O20S/c1-7-21-71(89(136)121-77(56-61-57-112-68-25-9-8-22-65(61)68)92(139)117-72(29-16-51-110-98(104)105)90(137)118-74(88(135)113-59(4)86(133)115-70(85(103)132)26-10-12-47-100)44-46-83(131)147-148(145,146)80-33-15-23-66-67(80)24-14-28-69(66)108-53-49-102)116-91(138)73(43-45-82(129)130)119-95(142)84(58(2)3)122-94(141)79-32-20-55-127(79)97(144)76(27-11-13-48-101)120-93(140)78-31-19-54-126(78)96(143)75(30-17-52-111-99(106)107)114-81(128)34-18-50-109-87(134)60-35-37-62(38-36-60)123-124-63-39-41-64(42-40-63)125(5)6/h8-9,14-15,22-25,28,33,35-42,57-59,70-79,84,108,112H,7,10-13,16-21,26-27,29-32,34,43-56,100-102H2,1-6H3,(H2,103,132)(H,109,134)(H,113,135)(H,114,128)(H,115,133)(H,116,138)(H,117,139)(H,118,137)(H,119,142)(H,120,140)(H,121,136)(H,122,141)(H,129,130)(H4,104,105,110)(H4,106,107,111)/b124-123+/t59-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-/m0/s1 |
| InChiKey： | InChIKey=JXEWZLHRMIDSSW-SFLHSALASA-N |
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