(βS)-β-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester - CAS 134430-95-8
Catalog: |
BB058236 |
Product Name: |
(βS)-β-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester |
CAS: |
134430-95-8 |
Synonyms: |
[R-(R*,S*)]-β-[(1-Phenylethyl)(phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester |
IUPAC Name: | methyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate |
Description: | (βS)-β-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester (cas# 134430-95-8) is a compound useful in organic synthesis. |
Molecular Weight: | 479.61 |
Molecular Formula: | C32H33NO3 |
Canonical SMILES: | CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CC(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
InChI: | InChI=1S/C32H33NO3/c1-25(28-16-10-5-11-17-28)33(23-26-12-6-3-7-13-26)31(22-32(34)35-2)29-18-20-30(21-19-29)36-24-27-14-8-4-9-15-27/h3-21,25,31H,22-24H2,1-2H3/t25-,31+/m1/s1 |
InChI Key: | GBGFPJSLOSSHPI-NJHZRGNWSA-N |
Solubility: | Dichloromethane |
Appearance: | Light Yellow Oil |
Complexity: | 613 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 479.24604391 |
Formal Charge: | 0 |
Heavy Atom Count: | 36 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 479.24604391 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 38.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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