BRN 2800803

3-(acetamidomethyl)-5-[3-[3-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodobenzoic acid

CAS: 26199-68-8

Molecular Formula	`C29H30I6N4O10`
Molecular Weight	1356.0 g/mol
LogP	3.1
Topological Polar Surface Area	209.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	18
Exact Mass	1355.623
Heavy Atoms	49
Complexity	1090.0

Chemical Identifiers

CAS Number	26199-68-8
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I`
InChIKey	`ZCWWPYDIDTYMNK-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800803 (CAS: 26199-68-8) is a chemical compound with molecular formula C29H30I6N4O10 and molecular weight 1356.0 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[3-[3-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 3.1 Topological Polar Surface Area 209.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 10 Rotatable Bonds 18 Exact Mass 1355.623 Heavy Atoms 49 Complexity 1090.0 InChI Key: ZCWWPYDIDTYMNK-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCOCCCOCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.

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