Compound C33H34I6N4O10

3-[3-[3-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

CAS: 26090-57-3

Molecular Formula	`C33H34I6N4O10`
Molecular Weight	1408.1 g/mol
LogP	3.6
Topological Polar Surface Area	192.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	18
Exact Mass	1407.6543
Heavy Atoms	53
Complexity	1240.0

Chemical Identifiers

CAS Number	26090-57-3
SMILES	`C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCOCCCOCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I`
InChIKey	`ASSQNOFYUUPIGF-UHFFFAOYSA-N`

📖 Product Overview

Compound C33H34I6N4O10 (CAS: 26090-57-3) is a chemical compound with molecular formula C33H34I6N4O10 and molecular weight 1408.1 g/mol. Its IUPAC systematic name is 3-[3-[3-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid. LogP 3.6 Topological Polar Surface Area 192.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 18 Exact Mass 1407.6543 Heavy Atoms 53 Complexity 1240.0 InChI Key: ASSQNOFYUUPIGF-UHFFFAOYSA-N. SMILES: C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCOCCCOCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I.

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