2-imino-3-methylene-5-L-(carboxy-L-valyl)pyrrolidine
AlkaPlorer ID: AK057508
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-5-amino-4-methylidene-2,3-dihydropyrrole-2-carbonyl]amino]-3-methylbutanoic acid
Structure
SMILES: C=C1C[C@@H](C(O)=N[C@H](C(=O)O)C(C)C)NC1=N
InChI: InChI=1S/C11H17N3O3/c1-5(2)8(11(16)17)14-10(15)7-4-6(3)9(12)13-7/h5,7-8H,3-4H2,1-2H3,(H2,12,13)(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChIKey: ZUBOMWJCMSHMTA-YUMQZZPRSA-N
Reference
Antibacterial iminopyrrolidines from Burkholderia plantarii, a bacterial pathogen of rice
PubChem CID: 11687339
LOTUS: LTS0226353
SuperNatural Ⅲ: SN0480265-01
{NPAtlas: NPA011886
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 239.275
TPSA？: 105.77
MolLogP？: 0.9474700000000004
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Erwinia amylovora | Erwinia amylovora | IZ | 10.0 | mm | 10.1016/j.bmcl.2010.01.128 |
| Erwinia amylovora | Erwinia amylovora | IZ | 19.0 | mm | 10.1016/j.bmcl.2010.01.128 |