(1S,4R,7R,9R)-4-(hydroxymethyl)-9-(3-{[(2R,5R)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxopiperazin-2-yl]methyl}indol-1-yl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-di
AlkaPlorer ID: AK017087
Synonym: None
IUPAC Name: (1S,4R,7R,9R)-4-(hydroxymethyl)-9-[3-[[(2R,5R)-5-(hydroxymethyl)-1,4-dimethyl-2,5-bis(methylsulfanyl)-3,6-dioxopiperazin-2-yl]methyl]indol-1-yl]-5-methyl-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: CS[C@]1(CO)C(=O)N(C)[C@](CC2=CN([C@@]34C[C@@]5(SC)C(=O)N(C)[C@](CO)(SC)C(=O)N5[C@@H]3NC3=CC=CC=C34)C3=CC=CC=C23)(SC)C(=O)N1C
InChI: InChI=1S/C35H42N6O6S4/c1-37-29(46)34(19-42,50-6)38(2)27(44)32(37,48-4)16-21-17-40(25-15-11-8-12-22(21)25)31-18-33(49-5)28(45)39(3)35(20-43,51-7)30(47)41(33)26(31)36-24-14-10-9-13-23(24)31/h8-15,17,26,36,42-43H,16,18-20H2,1-7H3/t26-,31+,32+,33+,34+,35+/m0/s1
InChIKey: YDUJBQZOCBSEQA-VIPFADIOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chaetomium globosum | Chaetomium | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 771.025
TPSA？: 138.66000000000005
MolLogP？: 2.5355000000000008
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|