(R)-2-((R)-2-((R)-2-ACETAMIDO-5-GUANIDINOPENTANAMIDO)-5-GUANIDINOPENTANAMIDO)-6-AMINO-N-((R)-6-AMINO-1-((R)-1-((R)-1-((R)-1-AMINO-3-(1H-INDOL-3-YL)-1-OXOPROPAN-2-YLAMINO)-1-OXO-3-PHENYLPROPAN-2-YLAMINO)-3-(1H-INDOL-3-YL)-1-OXOPROPAN-2-YLAMINO)-1-OXOHEXAN-2-YL)HEXANAMIDE

/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 BKJYCYKGOYTJPR-HAVSUIOUSA-N
Smiles CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N
InChI
InChI=1S/C57H82N18O8/c1-34(76)69-42(23-13-27-65-56(61)62)50(78)72-45(24-14-28-66-57(63)64)52(80)70-43(21-9-11-25-58)51(79)71-44(22-10-12-26-59)53(81)75-48(31-37-33-68-41-20-8-6-18-39(37)41)55(83)74-47(29-35-15-3-2-4-16-35)54(82)73-46(49(60)77)30-36-32-67-40-19-7-5-17-38(36)40/h2-8,15-20,32-33,42-48,67-68H,9-14,21-31,58-59H2,1H3,(H2,60,77)(H,69,76)(H,70,80)(H,71,79)(H,72,78)(H,73,82)(H,74,83)(H,75,81)(H4,61,62,65)(H4,63,64,66)/t42-,43-,44-,45-,46-,47-,48-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C57H82N18O8
Molecular Weight 1147.38

Cross References

Resources Reference
ChEMBL CHEMBL2251914
PubChem 76322798
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