Molecular Structure:
CCD No.:CCD00050618
GLN-ALA-THR-VAL-GLY-ASP-VAL-ASN-THR-ASP-ARG-PRO-GLY-LEU-LEU-ASP-LEU-LYS-TYR
Formula:C90 H147 N25 O31
MolWeight:2075.3
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| Product Name： | GLN-ALA-THR-VAL-GLY-ASP-VAL-ASN-THR-ASP-ARG-PRO-GLY-LEU-LEU-ASP-LEU-LYS-TYR |
| English Synonyms： | ODN-DBI-[TYR19], RAT ; [TYR19] DIAZEPAM-BINDING INHIBITOR FRAGMENT ; ODN-DIAZEPAM BINDING INHIBITOR-[TYR19], RAT ; GLN-ALA-THR-VAL-GLY-ASP-VAL-ASN-THR-ASP-ARG-PRO-GLY-LEU-LEU-ASP-LEU-LYS-TYR |
| MDL Number.： | MFCD00080040 |
| H bond acceptor： | 56 |
| H bond donor： | 31 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)N |
| InChi： | InChI=1S/C90H147N25O31/c1-40(2)30-53(76(132)105-55(32-42(5)6)78(134)107-58(36-67(125)126)80(136)106-54(31-41(3)4)77(133)103-51(18-14-15-27-91)75(131)110-60(89(145)146)33-48-21-23-49(118)24-22-48)101-64(121)38-98-83(139)61-20-17-29-115(61)88(144)52(19-16-28-97-90(95)96)104-79(135)59(37-68(127)128)109-86(142)71(46(12)116)114-81(137)56(34-63(94)120)108-85(141)70(44(9)10)111-82(138)57(35-66(123)124)102-65(122)39-99-84(140)69(43(7)8)112-87(143)72(47(13)117)113-73(129)45(11)100-74(130)50(92)25-26-62(93)119/h21-24,40-47,50-61,69-72,116-118H,14-20,25-39,91-92H2,1-13H3,(H2,93,119)(H2,94,120)(H,98,139)(H,99,140)(H,100,130)(H,101,121)(H,102,122)(H,103,133)(H,104,135)(H,105,132)(H,106,136)(H,107,134)(H,108,141)(H,109,142)(H,110,131)(H,111,138)(H,112,143)(H,113,129)(H,114,137)(H,123,124)(H,125,126)(H,127,128)(H,145,146)(H4,95,96,97)/t45-,46+,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,69-,70-,71-,72-/m0/s1 |
| InChiKey： | InChIKey=DDXQMKUHHWKEIL-AHFZGFTISA-N |
Basic Information
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