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208255-51-0 | Benzeneacetic acid, α-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-1-oxopropyl]amino]-, methyl ester, (αS)-
CAS No: 208255-51-0 Catalog No: AG002JLI MDL No:
Product Description
Catalog Number:
AG002JLI
Chemical Name:
Benzeneacetic acid, α-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-1-oxopropyl]amino]-, methyl ester, (αS)-
CAS Number:
208255-51-0
Molecular Formula:
C20H20F2N2O4
Molecular Weight:
390.3806
IUPAC Name:
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
InChI:
InChI=1S/C20H20F2N2O4/c1-12(23-17(25)10-13-8-15(21)11-16(22)9-13)19(26)24-18(20(27)28-2)14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,23,25)(H,24,26)/t12-,18-/m0/s1
InChI Key:
XAPDRNSTUYCSQC-SGTLLEGYSA-N
SMILES:
COC(=O)[C@H](c1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cc(F)cc(c1)F)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
390.139g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.387g/mol
Monoisotopic Mass:
390.139g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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