BRN 1523080

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

CAS: 51134-92-0

Molecular Formula	`C30H28I6N4O8`
Molecular Weight	1334.0 g/mol
LogP	4.2
Topological Polar Surface Area	173.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	1333.6176
Heavy Atoms	48
Complexity	1160.0

Chemical Identifiers

CAS Number	51134-92-0
SMILES	`C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I`
InChIKey	`DXYQAEKHSLXMEF-UHFFFAOYSA-N`

📖 Product Overview

BRN 1523080 (CAS: 51134-92-0) is a chemical compound with molecular formula C30H28I6N4O8 and molecular weight 1334.0 g/mol. Its IUPAC systematic name is 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid. LogP 4.2 Topological Polar Surface Area 173.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 13 Exact Mass 1333.6176 Heavy Atoms 48 Complexity 1160.0 InChI Key: DXYQAEKHSLXMEF-UHFFFAOYSA-N. SMILES: C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)NC(=O)CCCCC(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)CN4CCCC4=O)I)I)C(=O)O)I.

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