ent-Eusynstyelamide B, (rel)-
AlkaPlorer ID: AK091802
Synonym: None
IUPAC Name: (2R,3R,4S)-3-(6-bromo-1H-indol-3-yl)-4-[(6-bromo-1H-indol-3-yl)methyl]-N,1-bis[4-(diaminomethylideneamino)butyl]-2,4-dihydroxy-5-oxopyrrolidine-2-carboxamide
Structure
SMILES: N=C(N)NCCCCN=C(O)[C@]1(O)[C@H](C2=CNC3=CC(Br)=CC=C23)[C@@](O)(CC2=CNC3=CC(Br)=CC=C23)C(=O)N1CCCCNC(=N)N
InChI: InChI=1S/C32H40Br2N10O4/c33-19-5-7-21-18(16-42-24(21)13-19)15-31(47)26(23-17-43-25-14-20(34)6-8-22(23)25)32(48,27(45)39-9-1-2-10-40-29(35)36)44(28(31)46)12-4-3-11-41-30(37)38/h5-8,13-14,16-17,26,42-43,47-48H,1-4,9-12,15H2,(H,39,45)(H4,35,36,40)(H4,37,38,41)/t26-,31+,32-/m1/s1
InChIKey: AFCHPUCHYPXZGZ-WHODAWOQSA-N
Reference
Eusynstyelamides A, B, and C, nNOS Inhibitors, from the Ascidian <i>Eusynstyela latericius</i>
PubChem CID: 44178935
LOTUS: LTS0166983
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eusynstyela latericius | Eusynstyela | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 788.5459999999997
TPSA？: 248.74
MolLogP？: 3.2454400000000003
Number of H-Donors: 11
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|