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

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

CAS: 54613-99-9

Formula: C19H27ClN2O6

SMILES: CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(O)=O

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

InChI: InChI=1/C19H27ClN2O6/c1-19(2,3)28-18(26)22-15(16(23)24)10-6-7-11-21-17(25)27-12-13-8-4-5-9-14(13)20/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)

Composition: C (55.01%), H (6.56%), Cl (8.54%), N (6.75%), O (23.14%)

Molar Mass: 414.88

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 414.1557643
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ATUMDPHEFWGCJF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.17
Topological Polar Surface Area 113.96
Polarizability 40.58
Ring Count 1
Rotatable Bond Count 12

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95% <5 Days 54613-99-9 $420.00-$530.00$420.00$480.00$530.00
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