Estatin A
AlkaPlorer ID: AK297944
Synonym: None
IUPAC Name: 3-[[1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Structure
SMILES: N=C(N)NCCCCN=C(O)C(CC1=CC=CC=C1)N=C(O)C1OC1C(=O)O
InChI: InChI=1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)
InChIKey: CDANUSUTFSNLOG-UHFFFAOYSA-N
Reference
Isolation and characterization of new thiol protease inhibitors estatins A and B.
PubChem CID: 129330
CAS: 106455-06-5
LOTUS: LTS0011314
COCONUT: CNP0296766.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Myceliophthora | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 391.4280000000001
TPSA？: 176.91
MolLogP？: 0.6259700000000007
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|