Saframycin A
AlkaPlorer ID: AK022447
Synonym: None
IUPAC Name: N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide
Structure
SMILES: COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CNC(=O)C(C)=O)N3[C@@H](C#N)[C@H](C2)N1C
InChI: InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16-,17-,18-,19-,22-/m0/s1
InChIKey: JNEGMBHBUAJRSX-SHUHUVMISA-N
Reference
New antibiotics, saframycins A, B, C, D and E.
PubChem CID: 100594
CAS: 66082-27-7
LOTUS: LTS0252135
{NPAtlas: NPA020292
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces lavendulae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 562.5790000000002
TPSA？: 163.18
MolLogP？: -0.149419999999997
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5