N-{2-[17-(3-carbamimidamidopropyl)-15,17-dihydroxy-7,8-bis(4-hydroxyphenyl)-4,11,14,18-tetraoxo-2,5,10,13-tetraazatricyclo[13.3.0.0?,?]octadecan-16-yl]ethyl}guanidine
AlkaPlorer ID: AK046080
Synonym: None
IUPAC Name: 2-[3-[(1R,6R,7R,8S,9S,15S,16R,17S)-16-[2-(diaminomethylideneamino)ethyl]-15,17-dihydroxy-7,8-bis(4-hydroxyphenyl)-4,11,14,18-tetraoxo-2,5,10,13-tetrazatricyclo[13.3.0.06,9]octadecan-17-yl]propyl]guanidine
Structure
SMILES: N=C(N)NCCC[C@@]1(O)C(=O)[C@@H]2NCC(O)=N[C@H]3[C@@H](N=C(O)CN=C(O)[C@]2(O)[C@@H]1CCNC(=N)N)[C@H](C1=CC=C(O)C=C1)[C@@H]3C1=CC=C(O)C=C1
InChI: InChI=1S/C33H44N10O8/c34-30(35)38-12-1-11-32(50)20(10-13-39-31(36)37)33(51)27(28(32)48)40-14-21(46)42-25-23(16-2-6-18(44)7-3-16)24(17-4-8-19(45)9-5-17)26(25)43-22(47)15-41-29(33)49/h2-9,20,23-27,40,44-45,50-51H,1,10-15H2,(H,41,49)(H,42,46)(H,43,47)(H4,34,35,38)(H4,36,37,39)/t20-,23+,24-,25-,26+,27+,32+,33+/m1/s1
InChIKey: QFZWTRIATPJVAF-ROVJCKOLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phorbas tenacior | Phorbas | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 708.7770000000004
TPSA？: 331.59
MolLogP？: -0.6451599999999913
Number of H-Donors: 14
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|