Home Other Building Blocks L-Phenylalanine, N-[(2R,3R)-3-methoxy-2-methyl-1-oxo-3-(2S)-2-pyrrolidinylpropyl]-, methyl ester, monohydrochloride (9CI)

L-Phenylalanine, N-[(2R,3R)-3-methoxy-2-methyl-1-oxo-3-(2S)-2-pyrrolidinylpropyl]-, methyl ester, monohydrochloride (9CI)

CAS No.:
864238-20-0
Catalog Number:
AG00GU91
Molecular Formula:
C19H29ClN2O4
Molecular Weight:
384.8976
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Product Description
Catalog Number:
AG00GU91
Chemical Name:
L-Phenylalanine, N-[(2R,3R)-3-methoxy-2-methyl-1-oxo-3-(2S)-2-pyrrolidinylpropyl]-, methyl ester, monohydrochloride (9CI)
CAS Number:
864238-20-0
Molecular Formula:
C19H29ClN2O4
Molecular Weight:
384.8976
MDL Number:
MFCD28387092
IUPAC Name:
methyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]-3-phenylpropanoate;hydrochloride
InChI:
InChI=1S/C19H28N2O4.ClH/c1-13(17(24-2)15-10-7-11-20-15)18(22)21-16(19(23)25-3)12-14-8-5-4-6-9-14;/h4-6,8-9,13,15-17,20H,7,10-12H2,1-3H3,(H,21,22);1H/t13-,15+,16+,17-;/m1./s1
InChI Key:
IKNWSNCMBMHJAU-WOLLCHHQSA-N
SMILES:
CO[C@H]([C@H](C(=O)N[C@H](C(=O)OC)Cc1ccccc1)C)[C@@H]1CCCN1.Cl
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
384.182g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
384.901g/mol
Monoisotopic Mass:
384.182g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties