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150044-77-2

150044-77-2 | 1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, 2,5-dimethyl ester

CAS No: 150044-77-2 Catalog No: AG001M9Q MDL No:

Product Description

Catalog Number:
AG001M9Q
Chemical Name:
1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-, 2,5-dimethyl ester
CAS Number:
150044-77-2
Molecular Formula:
C24H19N3O4
Molecular Weight:
413.4254
IUPAC Name:
dimethyl 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate
InChI:
InChI=1S/C24H19N3O4/c1-30-23(28)21-19(15-11-25-17-9-5-3-7-13(15)17)20(22(27-21)24(29)31-2)16-12-26-18-10-6-4-8-14(16)18/h3-12,25-27H,1-2H3
InChI Key:
DKTWEIRHZXHFQB-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c(c(c1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)C(=O)OC

Properties

Complexity:
632  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.138g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
413.433g/mol
Monoisotopic Mass:
413.138g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

Literature

Title Journal
Total synthesis of lycogarubin C and lycogalic acid. Organic letters 20100305
Lynamicins A-E, chlorinated bisindole pyrrole antibiotics from a novel marine actinomycete. Journal of natural products 20081001
New cytotoxic bisindole alkaloids with protein tyrosine kinase inhibitory activity from a myxomycete Lycogala epidendrum. Bioorganic & medicinal chemistry letters 20050602

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