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(3S)-4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]butanoic acid

(3S)-4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]butanoic acid

CAS: 126825-16-9

Formula: C22H27NO5

SMILES: CC(C)(C)OC(=O)N[C@H](CC(O)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1

IUPAC: (3S)-4-[4-(benzyloxy)phenyl]-3-{[(tert-butoxy)carbonyl]amino}butanoic acid

InChI: InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23-18(14-20(24)25)13-16-9-11-19(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1

Composition: C (68.55%), H (7.06%), N (3.63%), O (20.75%)

Molar Mass: 385.46

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 385.188922973
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HTZSKDKNNZPVMJ-SFHVURJKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.69
Topological Polar Surface Area 84.86
Polarizability 41.43
Ring Count 2
Rotatable Bond Count 10

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