Virginiamycin S4
AlkaPlorer ID: AK048732
Synonym: 2-D-Alaninevirginiamycin S1, Staphylomycin S4
IUPAC Name: N-(3-benzyl-4,12,16-trimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
Structure
SMILES: CC1NC(=O)C(NC(=O)C2=NC=CC=C2O)C(C)OC(=O)C(C2=CC=CC=C2)NC(=O)C2CC(=O)CCN2C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C2CCCN2C1=O
InChI: InChI=1S/C42H47N7O10/c1-24-39(55)48-20-11-16-29(48)40(56)47(3)31(22-26-12-6-4-7-13-26)41(57)49-21-18-28(50)23-30(49)36(52)46-34(27-14-8-5-9-15-27)42(58)59-25(2)33(37(53)44-24)45-38(54)35-32(51)17-10-19-43-35/h4-10,12-15,17,19,24-25,29-31,33-34,51H,11,16,18,20-23H2,1-3H3,(H,44,53)(H,45,54)(H,46,52)
InChIKey: JCHSFPDVQZEVOK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces virginiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 809.8769999999998
TPSA？: 224.72
MolLogP？: 0.813900000000005
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|