None
AlkaPlorer ID: AK323240
Synonym: None
IUPAC Name: (1R,8S)-4-ethyl-8-hydroxy-9-[(1R,8S)-8-hydroxy-4-[(1R)-1-hydroxyethyl]-5,16-dimethyl-4,7-bis(methylsulfanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5,16-dimethyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: CCC1(SC)C(=O)N2[C@H]3N(C)C4=CC=CC=C4C3(C34C5=CC=CC=C5N(C)[C@@H]3N3C(=O)C(SC)([C@@H](C)O)N(C)C(=O)C3(SC)[C@H]4O)[C@H](O)C2(SC)C(=O)N1C
InChI: InChI=1S/C38H48N6O7S4/c1-11-33(52-7)29(48)43-27-34(21-16-12-14-18-23(21)39(27)3,25(46)37(43,54-9)30(49)41(33)5)35-22-17-13-15-19-24(22)40(4)28(35)44-32(51)36(53-8,20(2)45)42(6)31(50)38(44,55-10)26(35)47/h12-20,25-28,45-47H,11H2,1-10H3/t20-,25+,26+,27-,28-,33?,34?,35?,36?,37?,38?/m1/s1
InChIKey: CXXHBGKTZOXQSV-WBENYMLLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clonostachys rogersoniana | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 829.1050000000001
TPSA？: 148.41000000000005
MolLogP？: 1.7924000000000015
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 8