Compound C32H36I6N4O8

3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid

CAS: 25903-30-4

Molecular Formula	`C32H36I6N4O8`
Molecular Weight	1366.1 g/mol
LogP	6.5
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	19
Exact Mass	1365.68
Heavy Atoms	50
Complexity	1100.0

Chemical Identifiers

CAS Number	25903-30-4
SMILES	`CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I`
InChIKey	`MRHTZPNCRQXRHS-UHFFFAOYSA-N`

📖 Product Overview

Compound C32H36I6N4O8 (CAS: 25903-30-4) is a chemical compound with molecular formula C32H36I6N4O8 and molecular weight 1366.1 g/mol. Its IUPAC systematic name is 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 6.5 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 19 Exact Mass 1365.68 Heavy Atoms 50 Complexity 1100.0 InChI Key: MRHTZPNCRQXRHS-UHFFFAOYSA-N. SMILES: CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I.

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