delta-(L-a-Aminoadipyl)-L-cysteinyl-D-valine
AlkaPlorer ID: AK021352
Synonym: '', 'N-(5S)-5-Amino-5-carboxypentanoyl-L-cysteinyl-D-valine', 'delta-(L-a-Aminoadipyl)-L-cysteinyl-D-valine'
IUPAC Name: (2S)-2-amino-6-[[(2R)-1-[[(1R)-1-carboxy-2-methylpropyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
Structure
SMILES: CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O
InChI: InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1
InChIKey: BYEIJZFKOAXBBV-ATZCPNFKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces clavuligerus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 363.4360000000001
TPSA？: 158.82
MolLogP？: -0.7913999999999981
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus licheniformis | Regulatory protein BlaR1 | Beta-lactamase induction | nan | None | 10.1021/jm00088a028 |
| Human gammaherpesvirus 4 | Human gammaherpesvirus 4 | EC50 | 50000.0 | nM | 10.1021/jm9806749 |
| Penicillium chrysogenum | Isopenicillin N synthetase | Activity | nan | None | 10.1021/jm00088a028 |
| None | ADMET | ID50 | 1000.0 | uM | 10.1021/jm9806749 |
| None | NON-PROTEIN TARGET | Antibiotic activity | nan | None | 10.1021/jm00088a028 |