Estatin A; p-Hydroxybenzyl analogue
AlkaPlorer ID: AK297945
Synonym: Estatin B
IUPAC Name: 3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Structure
SMILES: N=C(N)NCCCCN=C(O)C(CC1=CC=C(O)C=C1)N=C(O)C1OC1C(=O)O
InChI: InChI=1S/C18H25N5O6/c19-18(20)22-8-2-1-7-21-15(25)12(9-10-3-5-11(24)6-4-10)23-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9H2,(H,21,25)(H,23,26)(H,27,28)(H4,19,20,22)
InChIKey: IVRMXEFFYRZNCU-UHFFFAOYSA-N
Reference
Isolation and characterization of new thiol protease inhibitors estatins A and B.
PubChem CID: 129322
CAS: 106396-24-1
LOTUS: LTS0269675
COCONUT: CNP0133463.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Myceliophthora | Chaetomiaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 407.4270000000001
TPSA？: 197.14
MolLogP？: 0.3315700000000009
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|