Molecule

Cyclo(D-Pro-L-Val)

AlkaPlorer ID: AK001754

Synonym: None

IUPAC Name: (3S,8aR)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

SMILES: CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C1=O

InChI: InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8+/m1/s1

InChIKey: XLUAWXQORJEMBD-SFYZADRCSA-N

PubChem CID: 6992260

LOTUS: LTS0087072

SuperNatural Ⅲ: SN0433713-03

NPASS: NPC196007

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NPAtlas: NPA020560

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Panax notoginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus sp.	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Psammosilene tunicoides	Psammosilene	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 196.25

TPSA？: 49.41

MolLogP？: 0.1317999999999997

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	16.0	ug.mL-1	10.1016/j.bmcl.2015.06.010
Escherichia coli	Escherichia coli	MIC	18.5	ug.mL-1	10.1016/j.bmcl.2015.06.010
Homo sapiens	Neurokinin 1 receptor	Activity	nan	None	10.1021/np50106a005
Staphylococcus aureus	Staphylococcus aureus	MIC	15.6	ug.mL-1	10.1016/j.bmcl.2015.06.010
Vibrio anguillarum	Vibrio anguillarum	MIC	0.11	ug.mL-1	10.1021/np030233e