(2S,3R)-N-(4-carbamimidamidobutyl)-5-[(1E)-2-[(4-carbamimidamidobutyl)carbamoyl]eth-1-en-1-yl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
AlkaPlorer ID: AK324423
Synonym: None
IUPAC Name: None
Structure
SMILES: N=C(N)NCCCCN=C(O)/C=C/C1=CC(O)=C2O[C@H](C3=CC=C(O)C=C3)[C@H](C(O)=NCCCCNC(=N)N)C2=C1
InChI: InChI=1S/C28H38N8O5/c29-27(30)35-13-3-1-11-33-22(39)10-5-17-15-20-23(26(40)34-12-2-4-14-36-28(31)32)24(41-25(20)21(38)16-17)18-6-8-19(37)9-7-18/h5-10,15-16,23-24,37-38H,1-4,11-14H2,(H,33,39)(H,34,40)(H4,29,30,35)(H4,31,32,36)/b10-5+/t23-,24-/m1/s1
InChIKey: FCINNGNGQHGDFW-ZJMXWNGMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sambucus williamsii | Sambucus | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Bipolaris maydis | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Rosa woodsii | Rosa | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 566.6630000000002
TPSA？: 238.67
MolLogP？: 2.7678400000000005
Number of H-Donors: 10
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|