Cyclo[N-(Lys-Phe)-Orn-Val]
AlkaPlorer ID: AK060745
Synonym: 'CycloN-(Lys-Phe)-Orn-Val'
IUPAC Name: (2S)-2,6-diamino-N-[(2S)-1-[(2R,5S)-2-(3-aminopropyl)-3,6-dioxo-5-propan-2-ylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]hexanamide
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](CCCN)N(C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](N)CCCCN)C1=O
InChI: InChI=1S/C25H40N6O4/c1-16(2)21-25(35)31(20(12-8-14-27)23(33)30-21)24(34)19(15-17-9-4-3-5-10-17)29-22(32)18(28)11-6-7-13-26/h3-5,9-10,16,18-21H,6-8,11-15,26-28H2,1-2H3,(H,29,32)(H,30,33)/t18-,19-,20+,21-/m0/s1
InChIKey: NKNBNGMFQVMRAX-BURNTYAHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Burkholderia cepacia | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 488.63300000000027
TPSA？: 180.62
MolLogP？: 1.4679000000000035
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|