Benzoic acid,5-[[[(2S)-2-amino-4-(methylsulfinyl)-1-oxobutyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-

Modify Date: 2025-09-08 18:40:53

Benzoic acid,5-[[[(2S)-2-amino-4-(methylsulfinyl)-1-oxobutyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]- structure	Common Name	Benzoic acid,5-[[[(2S)-2-amino-4-(methylsulfinyl)-1-oxobutyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-
	CAS Number	695815-24-8	Molecular Weight	592.587
	Density	1.5±0.1 g/cm3	Boiling Point	830.3±65.0 °C at 760 mmHg
	Molecular Formula	C₂₇H₂₇F₃N₄O₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	455.9±34.3 °C

Name	5-({[(2S)-2-Amino-4-(methylsulfinyl)butanoyl]amino}methyl)-2-({2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)benzoic acid
Synonym	More Synonyms

Density	1.5±0.1 g/cm3
Boiling Point	830.3±65.0 °C at 760 mmHg
Molecular Formula	C₂₇H₂₇F₃N₄O₆S
Molecular Weight	592.587
Flash Point	455.9±34.3 °C
Exact Mass	592.160339
LogP	5.82
Vapour Pressure	0.0±3.2 mmHg at 25°C
Index of Refraction	1.665
InChIKey	PMDNJGISEULZJK-UQIHEIKDSA-N
SMILES	CS(=O)CCC(N)C(=O)NCc1ccc(Nc2cc(C(F)(F)F)ccc2Nc2ccccc2C(=O)O)c(C(=O)O)c1

5-({[(2S)-2-Amino-4-(methylsulfinyl)butanoyl]amino}methyl)-2-({2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)benzoic acid

Benzoic acid, 5-[[[(2S)-2-amino-4-(methylsulfinyl)-1-oxobutyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-

Names