Elastatinal A
AlkaPlorer ID: AK297354
Synonym: None
IUPAC Name: 2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
Structure
SMILES: CC(C)CC(N=C(O)NC(C(O)=NC(CCC(=N)O)C(O)=NC(C)C=O)C1CCNC(=N)N1)C(=O)O
InChI: InChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)
InChIKey: IJWCGVPEDDQUDE-UHFFFAOYSA-N
Reference
ELASTATINAL, A NEW ELASTASE INHIBITOR PRODUCED BY ACTINOMYCETES
PubChem CID: 3211
CAS: 51798-45-9
LOTUS: LTS0117200
COCONUT: CNP0190997.4
{NPAtlas: NPA011053
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseoruber | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Actinomyces sp. | Actinomyces | Actinomycetaceae | Actinomycetales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 512.5680000000002
TPSA？: 256.16
MolLogP？: 0.4286400000000047
Number of H-Donors: 10
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|