Basic Information |
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Product Name: | (GLN)(TYR)(ILE)(LYS)(ALA)(ASN)(SER)(LYS)(PHE)(ILE)(GLY)(ILE)(THR)(GLU) |
English Synonyms: | QYIKANSKFIGITE ; (GLN)(TYR)(ILE)(LYS)(ALA)(ASN)(SER)(LYS)(PHE)(ILE)(GLY)(ILE)(THR)(GLU) ; TETANUS TOXIN (830-843) |
MDL Number.: | MFCD10567369 |
H bond acceptor: | 40 |
H bond donor: | 23 |
Smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCC(=O)N)N |
InChi: | InChI=1S/C74H118N18O22/c1-9-38(4)58(70(109)80-36-56(98)89-59(39(5)10-2)72(111)92-61(42(8)94)73(112)84-49(74(113)114)28-30-57(99)100)90-68(107)51(33-43-19-13-12-14-20-43)87-65(104)48(22-16-18-32-76)82-69(108)53(37-93)88-66(105)52(35-55(79)97)85-62(101)41(7)81-64(103)47(21-15-17-31-75)83-71(110)60(40(6)11-3)91-67(106)50(34-44-23-25-45(95)26-24-44)86-63(102)46(77)27-29-54(78)96/h12-14,19-20,23-26,38-42,46-53,58-61,93-95H,9-11,15-18,21-22,27-37,75-77H2,1-8H3,(H2,78,96)(H2,79,97)(H,80,109)(H,81,103)(H,82,108)(H,83,110)(H,84,112)(H,85,101)(H,86,102)(H,87,104)(H,88,105)(H,89,98)(H,90,107)(H,91,106)(H,92,111)(H,99,100)(H,113,114)/t38-,39-,40-,41-,42+,46-,47-,48-,49-,50-,51-,52-,53-,58-,59-,60-,61-/m0/s1 |
InChiKey: | InChIKey=SFVMDWINBRJWGJ-IBEQIYGISA-N |
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