FKLFKKILKVL-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 PKOLDPBJZGEWCE-OYFXMPONSA-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)Cc2ccccc2)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/C71H122N16O11/c1-11-47(10)60(71(98)85-57(40-45(6)7)67(94)81-53(32-20-24-36-74)65(92)86-59(46(8)9)70(97)82-55(61(77)88)38-43(2)3)87-66(93)54(33-21-25-37-75)79-63(90)52(31-19-23-35-73)80-69(96)58(42-49-28-16-13-17-29-49)84-68(95)56(39-44(4)5)83-64(91)51(30-18-22-34-72)78-62(89)50(76)41-48-26-14-12-15-27-48/h12-17,26-29,43-47,50-60H,11,18-25,30-42,72-76H2,1-10H3,(H2,77,88)(H,78,89)(H,79,90)(H,80,96)(H,81,94)(H,82,97)(H,83,91)(H,84,95)(H,85,98)(H,86,92)(H,87,93)/t47-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C71H122N16O11
Molecular Weight 1375.83

Cross References

Resources Reference
ChEMBL CHEMBL2252938
PubChem 76319173
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