WKLFKKILKVL-NH2

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key AGELPNDANXGLPJ-MEEQHHTLSA-N
Smiles CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N
InChI
InChI=1S/C73H123N17O11/c1-11-47(10)62(73(101)88-59(39-45(6)7)69(97)84-55(31-19-23-35-76)67(95)89-61(46(8)9)72(100)85-57(63(79)91)37-43(2)3)90-68(96)56(32-20-24-36-77)82-65(93)54(30-18-22-34-75)83-71(99)60(40-48-25-13-12-14-26-48)87-70(98)58(38-44(4)5)86-66(94)53(29-17-21-33-74)81-64(92)51(78)41-49-42-80-52-28-16-15-27-50(49)52/h12-16,25-28,42-47,51,53-62,80H,11,17-24,29-41,74-78H2,1-10H3,(H2,79,91)(H,81,92)(H,82,93)(H,83,99)(H,84,97)(H,85,100)(H,86,94)(H,87,98)(H,88,101)(H,89,95)(H,90,96)/t47-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C73H123N17O11
Molecular Weight 1414.87

Cross References

Resources Reference
ChEMBL CHEMBL2252932
PubChem 76333662
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