Molecule

Not named

AlkaPlorer ID: AK005134

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-methylpent-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)CC)C(Cl)C(O)CNC(=N)N)=CC=C2OC)C2=CC=CC=C2N=C1

InChI: InChI=1S/C38H46ClN7O8/c1-7-20(4)30(36(51)52)44-34(49)32-38(5,53)14-15-46(32)35(50)31(29(39)26(47)18-43-37(40)41)45-33(48)21-12-13-27(54-6)23(16-21)28-22-10-8-9-11-25(22)42-17-24(28)19(2)3/h8-13,16-17,26,29,31-32,47,53H,2,7,14-15,18H2,1,3-6H3,(H,44,49)(H,45,48)(H,51,52)(H4,40,41,43)

InChIKey: FQXJQQVRRYFDJH-UHFFFAOYSA-N

Reference

The Novel Gluconeogenesis Inhibitors FR225659 and Related Compounds that Originate from Helicomyces sp. No. 19353 I. Taxonomy, Fermentation, Isolation and Physico-chemical Properties

PubChem CID: 85118225

LOTUS: LTS0019520

COCONUT: CNP0355721

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Tubeufiaceae	Tubeufiales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 764.2799999999999

TPSA？: 247.27

MolLogP？: 4.145070000000001

Number of H-Donors: 8

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi