Virginiamycin S1
AlkaPlorer ID: AK003426
Synonym: None
IUPAC Name: N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-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: CC[C@H]1N=C(O)[C@@H](N=C(O)C2=NC=CC=C2O)[C@@H](C)OC(=O)[C@H](C2=CC=CC=C2)N=C(O)[C@@H]2CC(=O)CCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1
InChIKey: FEPMHVLSLDOMQC-IYPFLVAKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces virginiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 823.9039999999998
TPSA？: 235.19000000000003
MolLogP？: 3.4594000000000023
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|