TMC-52B
AlkaPlorer ID: AK033647
Synonym: None
IUPAC Name: 3-[[(2S)-1-[4-(3-aminopropylamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Structure
SMILES: NCCCNCCCCN=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)C1OC1C(=O)O
InChI: InChI=1S/C20H30N4O6/c21-8-3-10-22-9-1-2-11-23-18(26)15(12-13-4-6-14(25)7-5-13)24-19(27)16-17(30-16)20(28)29/h4-7,15-17,22,25H,1-3,8-12,21H2,(H,23,26)(H,24,27)(H,28,29)/t15-,16?,17?/m0/s1
InChIKey: MQQOZPYNKMAOLT-GTPINHCMSA-N
Reference
TMC-52A to D, Novel Cysteine Proteinase Inhibitors, Produced by Gliocladium sp.
PubChem CID: 70678751
LOTUS: LTS0108843
NPASS: NPC319253
{NPAtlas: NPA017260
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gliocladium sp. | Gliocladium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Gliocladium sp. | Gliocladium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Gliocladium sp. | Gliocladium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 422.4820000000001
TPSA？: 173.29
MolLogP？: 0.7869000000000013
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|