LKLFKKILKVL-NH2

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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 NLADUGFMICSPKM-TZMVSQBHSA-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)CC(C)C)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/C68H124N16O11/c1-13-45(12)57(68(95)82-54(38-43(8)9)64(91)78-50(29-19-23-33-71)62(89)83-56(44(10)11)67(94)79-52(58(74)85)36-41(4)5)84-63(90)51(30-20-24-34-72)76-60(87)49(28-18-22-32-70)77-66(93)55(39-46-25-15-14-16-26-46)81-65(92)53(37-42(6)7)80-61(88)48(27-17-21-31-69)75-59(86)47(73)35-40(2)3/h14-16,25-26,40-45,47-57H,13,17-24,27-39,69-73H2,1-12H3,(H2,74,85)(H,75,86)(H,76,87)(H,77,93)(H,78,91)(H,79,94)(H,80,88)(H,81,92)(H,82,95)(H,83,89)(H,84,90)/t45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C68H124N16O11
Molecular Weight 1341.81

Cross References

Resources Reference
ChEMBL CHEMBL2252940
PubChem 76326391
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