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(2R)-2-{[(benzyloxy)carbonyl]amino}-4-[(tert-butoxycarbonyl)amino]butanoic acid

(2R)-2-{[(benzyloxy)carbonyl]amino}-4-[(tert-butoxycarbonyl)amino]butanoic acid

CAS: 214852-61-6

Formula: C17H24N2O6

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

IUPAC: (2R)-2-{[(benzyloxy)carbonyl]amino}-4-{[(tert-butoxy)carbonyl]amino}butanoic acid

InChI: InChI=1S/C17H24N2O6/c1-17(2,3)25-15(22)18-10-9-13(14(20)21)19-16(23)24-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t13-/m1/s1

Composition: C (57.94%), H (6.87%), N (7.95%), O (27.24%)

Molar Mass: 352.387

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 352.163436501
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ONDKXCQPYFHZPA-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.12
Topological Polar Surface Area 113.96
Polarizability 34.99
Ring Count 1
Rotatable Bond Count 10

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