Name: Name:N-([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)PHENYLALANINE
Brand: Angene
SKU: AG00902P
Rating: 90 (10 reviews)

N-([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)PHENYLALANINE

CAS No.:

1009715-73-4

Catalog Number:

AG00902P

Molecular Formula:

C21H18ClNO5S

Molecular Weight:

431.8893

Catalog Number:

AG00902P

Chemical Name:

N-([4-(2-CHLOROPHENOXY)PHENYL]SULFONYL)PHENYLALANINE

CAS Number:

1009715-73-4

Molecular Formula:

C21H18ClNO5S

Molecular Weight:

431.8893

MDL Number:

MFCD03619095

IUPAC Name:

2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]-3-phenylpropanoic acid

InChI:

InChI=1S/C21H18ClNO5S/c22-18-8-4-5-9-20(18)28-16-10-12-17(13-11-16)29(26,27)23-19(21(24)25)14-15-6-2-1-3-7-15/h1-13,19,23H,14H2,(H,24,25)

InChI Key:

ODODBPHOBJENGR-UHFFFAOYSA-N

SMILES:

OC(=O)C(NS(=O)(=O)c1ccc(cc1)Oc1ccccc1Cl)Cc1ccccc1

Complexity:

624

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

431.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

431.887g/mol

Monoisotopic Mass:

431.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6