CBMicro_013393

4-[3-[5-[3-(3-carboxypropanoylamino)phenoxy]-1,3-dioxoisoindol-2-yl]anilino]-4-oxobutanoic acid

Also Known As: CBMicro_013393|Oprea1_067003|BIM-0013335.P001|SR-01000517984-1|4-[3-[5-[3-(3-Carboxypropanoylamino)phenoxy]-1,3-dioxoisoindol-2-yl]anilino]-4-oxobutanoic acid|4-{[3-(5-{3-[(3-carboxypropanoyl)amino]phenoxy}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]amino}-4-oxobutanoic acid|4-(3-{5-[3-(3-Carboxypropanamido)phenoxy]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}anilino)-4-oxobutanoic acid|4-[3-[5-[3-[(4-hydroxy-4-oxobutanoyl)amino]phenoxy]-1,3-dioxoisoindol-2-yl]anilino]-4-oxobutanoic acid

Molecular Formula	C28H23N3O9
Molecular Weight	545.14343 g/mol
LogP	3.8861
Topological Polar Surface Area	179.41 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	545.14343
Monoisotopic Mass	545.14343
Heavy Atoms	40
Complexity	1532.9098

Chemical Identifiers

CAS Number	5186-90-3
SMILES	C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O