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1308256-94-1 | [1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-α-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]-, (αS)-
CAS No: 1308256-94-1 Catalog No: AG000UZ9 MDL No:
Product Description
Catalog Number:
AG000UZ9
Chemical Name:
[1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-α-[[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]-, (αS)-
CAS Number:
1308256-94-1
Molecular Formula:
C20H22ClNO4
Molecular Weight:
375.8460
IUPAC Name:
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
InChI:
InChI=1S/C20H22ClNO4/c1-3-26-20(25)13(2)22-18(19(23)24)11-14-7-9-15(10-8-14)16-5-4-6-17(21)12-16/h4-10,12-13,18,22H,3,11H2,1-2H3,(H,23,24)/t13-,18-/m0/s1
InChI Key:
PWYAUIUPDMSWJH-UGSOOPFHSA-N
SMILES:
CCOC(=O)[C@@H](N[C@H](C(=O)O)Cc1ccc(cc1)c1cccc(c1)Cl)C
UNII:
RUQ5JTB7HR
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
375.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.849g/mol
Monoisotopic Mass:
375.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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