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methyl (2S)-2-[(2S)-2-[2-(3,5-difluorophenyl)acetamido]propanamido]-2-phenylacetate

methyl (2S)-2-[(2S)-2-[2-(3,5-difluorophenyl)acetamido]propanamido]-2-phenylacetate

CAS: 208255-51-0

Formula: C20H20F2N2O4

SMILES: COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CC1=CC(F)=CC(F)=C1)C1=CC=CC=C1

IUPAC: methyl (2S)-2-[(2S)-2-[2-(3,5-difluorophenyl)acetamido]propanamido]-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

Composition: C (61.53%), H (5.16%), F (9.73%), N (7.18%), O (16.39%)

Molar Mass: 390.387

Atom Count: 48

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 390.139113458
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XAPDRNSTUYCSQC-SGTLLEGYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.03
Topological Polar Surface Area 84.5
Polarizability 37.28
Ring Count 2
Rotatable Bond Count 8

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96% <6 Days 208255-51-0 $188.60$188.60
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