Name: Name:Acetic acid (1s,2r)-2-[n-benzyl-n-(mesitylenesulfonyl)amino]-1-phenylpropyl ester
Brand: Angene
SKU: AG003BIE
Rating: 90 (10 reviews)

Acetic acid (1s,2r)-2-[n-benzyl-n-(mesitylenesulfonyl)amino]-1-phenylpropyl ester

CAS No.:

240423-53-4

Catalog Number:

AG003BIE

Molecular Formula:

C27H31NO4S

Molecular Weight:

465.6043

Catalog Number:

AG003BIE

Chemical Name:

Acetic acid (1s,2r)-2-[n-benzyl-n-(mesitylenesulfonyl)amino]-1-phenylpropyl ester

CAS Number:

240423-53-4

Molecular Formula:

C27H31NO4S

Molecular Weight:

465.6043

MDL Number:

MFCD02093425

IUPAC Name:

[(1S,2R)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] acetate

InChI:

InChI=1S/C27H31NO4S/c1-19-16-20(2)27(21(3)17-19)33(30,31)28(18-24-12-8-6-9-13-24)22(4)26(32-23(5)29)25-14-10-7-11-15-25/h6-17,22,26H,18H2,1-5H3/t22-,26-/m1/s1

InChI Key:

MCELVTKIIIBSDU-ATIYNZHBSA-N

SMILES:

CC(=O)O[C@H]([C@H](N(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccccc1)C)c1ccccc1

Complexity:

709

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

465.197g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

465.608g/mol

Monoisotopic Mass:

465.197g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5