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(2S)-2-amino-4-(tert-butoxy)-3-(4-carbamoylphenyl)-4-oxobutanoic acid

(2S)-2-amino-4-(tert-butoxy)-3-(4-carbamoylphenyl)-4-oxobutanoic acid

CAS: 205126-71-2

Formula: C15H20N2O5

SMILES: CC(C)(C)OC(=O)C([C@H](N)C(O)=O)C1=CC=C(C=C1)C(N)=O

IUPAC: (2S)-2-amino-4-(tert-butoxy)-3-(4-carbamoylphenyl)-4-oxobutanoic acid

InChI: InChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)10(11(16)13(19)20)8-4-6-9(7-5-8)12(17)18/h4-7,10-11H,16H2,1-3H3,(H2,17,18)(H,19,20)/t10?,11-/m0/s1

Composition: C (58.43%), H (6.54%), N (9.09%), O (25.94%)

Molar Mass: 308.334

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 308.137221752
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey ALFFWTJGYHJURL-DTIOYNMSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.86
Topological Polar Surface Area 132.71
Polarizability 30.76
Ring Count 1
Rotatable Bond Count 7

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