Staphylopeptide A
AlkaPlorer ID: AK051045
Synonym: None
IUPAC Name: 2-[(2S,5S,8S,11S)-8-(2-amino-2-oxoethyl)-5-butan-2-yl-11-(2-methylpropyl)-3,6,9,12-tetraoxo-1,4,7,10-tetrazacyclododec-2-yl]acetamide
Structure
SMILES: CCC(C)[C@@H]1N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C1O
InChI: InChI=1S/C20H34N6O6/c1-5-10(4)16-20(32)25-12(7-14(21)27)18(30)23-11(6-9(2)3)17(29)24-13(8-15(22)28)19(31)26-16/h9-13,16H,5-8H2,1-4H3,(H2,21,27)(H2,22,28)(H,23,30)(H,24,29)(H,25,32)(H,26,31)/t10?,11-,12-,13-,16-/m0/s1
InChIKey: JVBWTKGWUGOPJG-IFUNHYKASA-N
Reference
Staphylopeptide A, a new cyclic tetrapeptide from culture broth of Staphylococcus sp.
PubChem CID: 139584012
LOTUS: LTS0266802
{NPAtlas: NPA003275
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Staphylococcus sp. | Staphylococcus | Staphylococcaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 454.5280000000001
TPSA？: 218.51999999999995
MolLogP？: 3.2433400000000008
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|