BRN 2800649

3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid

CAS: 26280-73-9

Molecular Formula	`C27H26I6N4O8`
Molecular Weight	1295.9 g/mol
LogP	4.3
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	14
Exact Mass	1295.6019
Heavy Atoms	45
Complexity	1020.0

Chemical Identifiers

CAS Number	26280-73-9
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I`
InChIKey	`VIUSPLNTYLTBTQ-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800649 (CAS: 26280-73-9) is a chemical compound with molecular formula C27H26I6N4O8 and molecular weight 1295.9 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 4.3 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 14 Exact Mass 1295.6019 Heavy Atoms 45 Complexity 1020.0 InChI Key: VIUSPLNTYLTBTQ-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.

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