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2-{[(benzyloxy)carbonyl]amino}-6-[(tert-butoxycarbonyl)amino]hexanoic acid

2-{[(benzyloxy)carbonyl]amino}-6-[(tert-butoxycarbonyl)amino]hexanoic acid

CAS: 2389-60-8

Formula: C19H28N2O6

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

IUPAC: 2-{[(benzyloxy)carbonyl]amino}-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid

InChI: InChI=1/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)

Composition: C (59.99%), H (7.42%), N (7.36%), O (25.23%)

Molar Mass: 380.441

Atom Count: 55

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 380.19473663
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DYSBKEOCHROEGX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.36
Topological Polar Surface Area 113.96
Polarizability 38.65
Ring Count 1
Rotatable Bond Count 12

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