BRN 2800602

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

CAS: 25901-37-5

Molecular Formula	`C26H24I6N4O8`
Molecular Weight	1281.9 g/mol
LogP	3.7
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	1281.5862
Heavy Atoms	44
Complexity	1010.0

Chemical Identifiers

CAS Number	25901-37-5
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I`
InChIKey	`GLRANBSLTPAMQG-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800602 (CAS: 25901-37-5) is a chemical compound with molecular formula C26H24I6N4O8 and molecular weight 1281.9 g/mol. Its IUPAC systematic name is 3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 3.7 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 13 Exact Mass 1281.5862 Heavy Atoms 44 Complexity 1010.0 InChI Key: GLRANBSLTPAMQG-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)C)I)I)C(=O)O)I.

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