Name: Name:(S)-Methyl 4-(methylthio)-2-(4-(trifluoromethyl)benzamido)butanoate
Brand: Angene
SKU: AG0020GM
Rating: 90 (10 reviews)

(S)-Methyl 4-(methylthio)-2-(4-(trifluoromethyl)benzamido)butanoate

CAS No.:

175202-25-2

Catalog Number:

AG0020GM

Molecular Formula:

C14H16F3NO3S

Molecular Weight:

335.3419

Catalog Number:

AG0020GM

Chemical Name:

(S)-Methyl 4-(methylthio)-2-(4-(trifluoromethyl)benzamido)butanoate

CAS Number:

175202-25-2

Molecular Formula:

C14H16F3NO3S

Molecular Weight:

335.3419

MDL Number:

MFCD00085178

IUPAC Name:

methyl (2S)-4-methylsulfanyl-2-[[4-(trifluoromethyl)benzoyl]amino]butanoate

InChI:

InChI=1S/C14H16F3NO3S/c1-21-13(20)11(7-8-22-2)18-12(19)9-3-5-10(6-4-9)14(15,16)17/h3-6,11H,7-8H2,1-2H3,(H,18,19)/t11-/m0/s1

InChI Key:

JNLLBMUHOJPZON-NSHDSACASA-N

SMILES:

COC(=O)[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)CCSC

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.341g/mol

Monoisotopic Mass:

335.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: