2-(((S)-1-(Benzyloxy)-1-oxopropan-2-yl)amino)-4-phenylbutanoic Acid (S)-Methyl Ester - CAS 1356011-63-6

Catalog:	BB073568
Product Name:	2-(((S)-1-(Benzyloxy)-1-oxopropan-2-yl)amino)-4-phenylbutanoic Acid (S)-Methyl Ester
CAS:	1356011-63-6
Synonyms:	2-(((S)-1-(Benzyloxy)-1-oxopropan-2-yl)amino)-4-phenylbutanoic Acid (S)-Methyl Ester; Methyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate

Technical Data

IUPAC Name:	methyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
Molecular Weight:	355.43
Molecular Formula:	C21H25NO4
Canonical SMILES:	CC(C(=O)OCC1=CC=CC=C1)NC(CCC2=CC=CC=C2)C(=O)OC
InChI:	InChI=1S/C21H25NO4/c1-16(20(23)26-15-18-11-7-4-8-12-18)22-19(21(24)25-2)14-13-17-9-5-3-6-10-17/h3-12,16,19,22H,13-15H2,1-2H3/t16-,19-/m0/s1
InChI Key:	PRLSWTLNRIGWDK-LPHOPBHVSA-N
Solubility:	DCM, Ethyl Acetate
Appearance:	Colourless Liquid

Complexity:	428
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	355.17835828
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	355.17835828
Rotatable Bond Count:	11
Topological Polar Surface Area:	64.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9