KKLFKKILKFL-NH2

/static/temp/default.svg Search structure
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 KEBAAEGQSKTQNG-RGKBRDPZSA-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)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N
InChI
InChI=1S/C72H125N17O11/c1-9-48(8)61(72(100)88-58(42-47(6)7)68(96)82-54(33-19-24-38-76)66(94)86-60(44-50-28-14-11-15-29-50)71(99)84-56(62(79)90)40-45(2)3)89-67(95)55(34-20-25-39-77)81-64(92)53(32-18-23-37-75)83-70(98)59(43-49-26-12-10-13-27-49)87-69(97)57(41-46(4)5)85-65(93)52(31-17-22-36-74)80-63(91)51(78)30-16-21-35-73/h10-15,26-29,45-48,51-61H,9,16-25,30-44,73-78H2,1-8H3,(H2,79,90)(H,80,91)(H,81,92)(H,82,96)(H,83,98)(H,84,99)(H,85,93)(H,86,94)(H,87,97)(H,88,100)(H,89,95)/t48-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C72H125N17O11
Molecular Weight 1404.87

Cross References

Resources Reference
ChEMBL CHEMBL2251915
PubChem 60144929
CONTENTS