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(3R)-5-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid

(3R)-5-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid

CAS: 254101-10-5

Formula: C17H23NO6

SMILES: CC(C)(C)OC(=O)N[C@H](CC(O)=O)CC(=O)OCC1=CC=CC=C1

IUPAC: (3R)-5-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid

InChI: InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-14(19)20)10-15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m1/s1

Composition: C (60.52%), H (6.87%), N (4.15%), O (28.45%)

Molar Mass: 337.372

Atom Count: 47

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 337.152537465
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FAFJSSKTLCNWRJ-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.41
Topological Polar Surface Area 101.93
Polarizability 33.84
Ring Count 1
Rotatable Bond Count 10

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