Ici 200,880

4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]benzene-1,4-dicarboxamide

CAS: 105080-50-0

Molecular Formula	`C30H34ClF3N4O7S`
Molecular Weight	687.1 g/mol
LogP	5.5
Topological Polar Surface Area	167.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	686.1789
Heavy Atoms	46
Complexity	1240.0

Chemical Identifiers

CAS Number	105080-50-0
SMILES	`CC(C)C(C(=O)NC(=O)C1CCCN1C(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl`
InChIKey	`SMCMGLCPSSSOQE-NTZARQNWSA-N`

📖 Product Overview

Ici 200,880 (CAS: 105080-50-0) is a chemical compound with molecular formula C30H34ClF3N4O7S and molecular weight 687.1 g/mol. Its IUPAC systematic name is 4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]benzene-1,4-dicarboxamide. LogP 5.5 Topological Polar Surface Area 167.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 11 Exact Mass 686.1789 Heavy Atoms 46 Complexity 1240.0 InChI Key: SMCMGLCPSSSOQE-NTZARQNWSA-N. SMILES: CC(C)C(C(=O)NC(=O)C1CCCN1C(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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