GAEGURIN 6
AlkaPlorer ID: AK588158
Synonym: None
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-1-[[2-[[(2S)-4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NC(C)C
InChI: InChI=1S/C46H77N9O8/c1-26(2)20-34(42(59)49-30(9)10)51-39(56)25-48-40(57)31(11)50-43(60)35(21-27(3)4)52-44(61)36(22-28(5)6)53-45(62)38-18-15-19-55(38)46(63)37(23-29(7)8)54-41(58)33(47)24-32-16-13-12-14-17-32/h12-14,16-17,26-31,33-38H,15,18-25,47H2,1-11H3,(H,48,57)(H,49,59)(H,50,60)(H,51,56)(H,52,61)(H,53,62)(H,54,58)/t31-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey: YZZTUQVPJAKQRU-FCNDXCBGSA-N
Reference
Antimicrobial Peptides from the Skin of a Korean Frog, Rana rugosa
PubChem CID: 70691028
LOTUS: LTS0236722
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glandirana rugosa | Glandirana | Ranidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 884.1769999999999
TPSA？: 274.46
MolLogP？: 7.69860000000001
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P-glycoprotein 1 | Activity | None | None | 10.1016/s0196-9781(03)00194-3 |