Leptosin N1
AlkaPlorer ID: AK046009
Synonym: None
IUPAC Name: (1S,2R,3S,11R,14S)-2-hydroxy-3-[(1S,4S,7S,8R,9R)-8-hydroxy-4-(hydroxymethyl)-7-methoxy-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-19-methyl-14-propan-2-yl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
Structure
SMILES: CO[C@@]12C(=O)N(C)[C@@H](CO)C(=O)N1[C@@H]1NC3=CC=CC=C3[C@]1([C@@]13C4=CC=CC=C4N[C@@H]1N1C(=O)[C@]4(C(C)C)SSS[C@]1(C(=O)N4C)[C@@H]3O)[C@H]2O
InChI: InChI=1S/C33H36N6O8S3/c1-15(2)32-28(46)39-25-30(17-11-7-9-13-19(17)35-25,23(43)33(39,49-50-48-32)27(45)37(32)4)29-16-10-6-8-12-18(16)34-24(29)38-21(41)20(14-40)36(3)26(44)31(38,47-5)22(29)42/h6-13,15,20,22-25,34-35,40,42-43H,14H2,1-5H3/t20-,22+,23+,24-,25+,29-,30+,31-,32-,33-/m0/s1
InChIKey: XEPWGYCXCLPRAU-ZHRZGBMMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptosphaeria sp. | Leptosphaeria | Leptosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 740.8860000000003
TPSA？: 175.21999999999997
MolLogP？: 0.5112000000000028
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|