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4-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

4-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

CAS: 4779-31-1

Formula: C19H19NO6

SMILES: OC(=O)CC(NC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1

IUPAC: 4-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

InChI: InChI=1/C19H19NO6/c21-17(22)11-16(18(23)25-12-14-7-3-1-4-8-14)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,22)

Composition: C (63.86%), H (5.36%), N (3.92%), O (26.86%)

Molar Mass: 357.362

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 357.121237336
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UYOZWZKJQRBZRH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.59
Topological Polar Surface Area 101.93
Polarizability 36.03
Ring Count 2
Rotatable Bond Count 10

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