Name: Name:(S)-Ethyl 2-Acetamido-3-(4-(((2,2,2-Trichloroethoxy)Sulfonyl)Methyl)Phenyl)Propanoate
Brand: Angene
SKU: AG01DGNJ
Rating: 90 (10 reviews)

(S)-Ethyl 2-Acetamido-3-(4-(((2,2,2-Trichloroethoxy)Sulfonyl)Methyl)Phenyl)Propanoate

CAS No.:

1146758-12-4

Catalog Number:

AG01DGNJ

Molecular Formula:

C16H20Cl3NO6S

Molecular Weight:

460.7571

Catalog Number:

AG01DGNJ

Chemical Name:

(S)-Ethyl 2-Acetamido-3-(4-(((2,2,2-Trichloroethoxy)Sulfonyl)Methyl)Phenyl)Propanoate

CAS Number:

1146758-12-4

Molecular Formula:

C16H20Cl3NO6S

Molecular Weight:

460.7571

MDL Number:

MFCD30185077

IUPAC Name:

ethyl (2S)-2-acetamido-3-[4-(2,2,2-trichloroethoxysulfonylmethyl)phenyl]propanoate

InChI:

InChI=1S/C16H20Cl3NO6S/c1-3-25-15(22)14(20-11(2)21)8-12-4-6-13(7-5-12)9-27(23,24)26-10-16(17,18)19/h4-7,14H,3,8-10H2,1-2H3,(H,20,21)/t14-/m0/s1

InChI Key:

WYKJUFVHEJOIFY-AWEZNQCLSA-N

SMILES:

CCOC(=O)[C@H](Cc1ccc(cc1)CS(=O)(=O)OCC(Cl)(Cl)Cl)NC(=O)C

Complexity:

594

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

459.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

460.747g/mol

Monoisotopic Mass:

459.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9