FR 225659; 5-Me ether
AlkaPlorer ID: AK298629
Synonym: None
IUPAC Name: 2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-methoxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-hydroxy-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid
Structure
SMILES: C=C(C)C1=C(C2=CC(C(=O)NC(C(=O)N3CCC(C)(O)C3C(=O)NC(C(=O)O)=C(C)C)C(Cl)C(O)CNC(=N)N)=CC=C2OC)C2=CC=CC=C2N=C1
InChI: InChI=1S/C37H44ClN7O8/c1-18(2)23-16-41-24-10-8-7-9-21(24)27(23)22-15-20(11-12-26(22)53-6)32(47)44-30(28(38)25(46)17-42-36(39)40)34(49)45-14-13-37(5,52)31(45)33(48)43-29(19(3)4)35(50)51/h7-12,15-16,25,28,30-31,46,52H,1,13-14,17H2,2-6H3,(H,43,48)(H,44,47)(H,50,51)(H4,39,40,42)
InChIKey: JKIMPNXEEFRQBU-UHFFFAOYSA-N
Reference
PubChem CID: 11967088
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Helicomyces sp. | Helicomyces | Tubeufiaceae | Tubeufiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 750.2529999999998
TPSA？: 240.29
MolLogP？: 2.339870000000002
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|