N-acetylisopenicillin N
AlkaPlorer ID: AK021733
Synonym: None
IUPAC Name: (2S,5R,6R)-6-[[(5S)-5-acetamido-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Structure
SMILES: CC(O)=N[C@@H](CCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)C(=O)O
InChI: InChI=1S/C16H23N3O7S/c1-7(20)17-8(14(23)24)5-4-6-9(21)18-10-12(22)19-11(15(25)26)16(2,3)27-13(10)19/h8,10-11,13H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26)/t8-,10+,11-,13+/m0/s1
InChIKey: YQOJKNZHJAWIBN-UIMWLRQOSA-N
Reference
Production of N-acetylisopenicillin N and isopenicillin N from Streptomyces tokunoensis sp. nov.
PubChem CID: 139589062
LOTUS: LTS0216914
SuperNatural Ⅲ: SN0457637-03
{NPAtlas: NPA020973
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces tokunonensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 401.4410000000002
TPSA？: 160.09
MolLogP？: 1.0583
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|