(E)-3,4-bis[(6-bromo-1H-indol-3-yl)methyl]-N,1-bis(4-carbamimidamidobutyl)-2,4-dihydroxy-5-oxopyrrolidine-2-carboximidic acid
AlkaPlorer ID: AK157937
Synonym: None
IUPAC Name: (2S,3R,4R)-3,4-bis[(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](CC2=CNC3=CC(Br)=CC=C23)[C@](O)(CC2=CNC3=CC(Br)=CC=C23)C(=O)N1CCCCNC(=N)N
InChI: InChI=1S/C33H42Br2N10O4/c34-21-5-7-23-19(17-43-25(23)14-21)13-27-32(48,16-20-18-44-26-15-22(35)6-8-24(20)26)29(47)45(12-4-3-11-42-31(38)39)33(27,49)28(46)40-9-1-2-10-41-30(36)37/h5-8,14-15,17-18,27,43-44,48-49H,1-4,9-13,16H2,(H,40,46)(H4,36,37,41)(H4,38,39,42)/t27-,32-,33+/m1/s1
InChIKey: FWIZAEZOEFOBCD-RMKIVDNVSA-N
Reference
Eusynstyelamides A, B, and C, nNOS Inhibitors, from the Ascidian <i>Eusynstyela latericius</i>
PubChem CID: 70681320
LOTUS: LTS0257419
NPASS: NPC477109
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eusynstyela latericius | Eusynstyela | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 802.5729999999996
TPSA？: 248.74
MolLogP？: 3.3205400000000003
Number of H-Donors: 11
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np900099j |
| Homo sapiens | NCI-H460 | Activity | nan | None | 10.1021/np900099j |
| Homo sapiens | SF-268 | Activity | nan | None | 10.1021/np900099j |
| Rattus norvegicus | Nitric-oxide synthase, brain | IC50 | 5800.0 | nM | 10.1021/np900099j |