Name: Name:[1,1'-Biphenyl]-4-pentanoic acid, γ-amino-5'-chloro-α-(ethoxymethyl)-2'-fluoro-α-methyl-, phenylmethyl ester, (αS,γR)-
Brand: Angene
SKU: AG001OM9
Rating: 90 (10 reviews)

[1,1'-Biphenyl]-4-pentanoic acid, γ-amino-5'-chloro-α-(ethoxymethyl)-2'-fluoro-α-methyl-, phenylmethyl ester, (αS,γR)-

CAS No.:

1562405-20-2

Catalog Number:

AG001OM9

Molecular Formula:

C28H31ClFNO3

Molecular Weight:

484.0020

Catalog Number:

AG001OM9

Chemical Name:

[1,1'-Biphenyl]-4-pentanoic acid, γ-amino-5'-chloro-α-(ethoxymethyl)-2'-fluoro-α-methyl-, phenylmethyl ester, (αS,γR)-

CAS Number:

1562405-20-2

Molecular Formula:

C28H31ClFNO3

Molecular Weight:

484.0020

MDL Number:

MFCD30609555

IUPAC Name:

benzyl (2S)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(ethoxymethyl)-2-methylpentanoate

InChI:

InChI=1S/C28H31ClFNO3/c1-3-33-19-28(2,27(32)34-18-21-7-5-4-6-8-21)17-24(31)15-20-9-11-22(12-10-20)25-16-23(29)13-14-26(25)30/h4-14,16,24H,3,15,17-19,31H2,1-2H3/t24?,28-/m0/s1

InChI Key:

OWJOLPLPQSNCIM-AZKKKJBWSA-N

SMILES:

CCOC[C@@](C(=O)OCc1ccccc1)(C[C@@H](Cc1ccc(cc1)c1cc(Cl)ccc1F)N)C

Complexity:

609

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

483.198g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

484.008g/mol

Monoisotopic Mass:

483.198g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: